1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine

C22H34N2O — CID 97321760

IUPAC1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine
SMILESCC(C)CN1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1
InChIInChI=1S/C22H34N2O/c1-17(2)16-24-13-9-18(10-14-24)23-20-15-22(11-5-6-12-22)25-21-8-4-3-7-19(20)21/h3-4,7-8,17-18,20,23H,5-6,9-16H2,1-2H3/t20-/m1/s1
InChIKeyVEDUATXGSKWVNV-HXUWFJFHSA-N
MW342.53 g/mol
LogP4.53
Rot. Bonds4

About 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine

1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine (PubChem CID 97321760) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine
PubChem CID97321760
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine
SMILESCC(C)CN1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1
InChIInChI=1S/C22H34N2O/c1-17(2)16-24-13-9-18(10-14-24)23-20-15-22(11-5-6-12-22)25-21-8-4-3-7-19(20)21/h3-4,7-8,17-18,20,23H,5-6,9-16H2,1-2H3/t20-/m1/s1
InChIKeyVEDUATXGSKWVNV-HXUWFJFHSA-N
XLogP4.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine with MolForge

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Related Compounds

N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
CID 97230108
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712137
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine (CID 97321760) is 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine is CC(C)CN1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine?
The InChIKey is VEDUATXGSKWVNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17(2)16-24-13-9-18(10-14-24)23-20-15-22(11-5-6-12-22)25-21-8-4-3-7-19(20)21/h3-4,7-8,17-18,20,23H,5-6,9-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine?
1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine has a molecular weight of 342.53 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine is sourced from PubChem (CID 97321760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).