N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine

C19H31N — CID 106797931

IUPACN-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31N/c1-6-13-20-15(2)19(11-12-19)14-16-7-9-17(10-8-16)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyRQCYXXGRNFTEKM-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.69
Rot. Bonds6

About N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106797931) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106797931
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31N/c1-6-13-20-15(2)19(11-12-19)14-16-7-9-17(10-8-16)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyRQCYXXGRNFTEKM-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797934
N-ethyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
CID 106797794
1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
CID 106798247
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol
CID 106798054
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798044
1-(1-benzylcyclopropyl)-N-ethylethanamine
CID 106797823
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
CID 106797601
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798013
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798000

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106797931) is N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is RQCYXXGRNFTEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-13-20-15(2)19(11-12-19)14-16-7-9-17(10-8-16)18(3,4)5/h7-10,15,20H,6,11-14H2,1-5H3.
What are the key properties of N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106797931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).