5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine

C18H36N2 — CID 83994925

IUPAC5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine
SMILESCC(C)CN1CC(CC2CC2)CC(NCC(C)(C)C)C1
InChIInChI=1S/C18H36N2/c1-14(2)10-20-11-16(8-15-6-7-15)9-17(12-20)19-13-18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyTVUPQAUABYLVMB-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.77
Rot. Bonds6

About 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine

5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine (PubChem CID 83994925) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine
PubChem CID83994925
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine
SMILESCC(C)CN1CC(CC2CC2)CC(NCC(C)(C)C)C1
InChIInChI=1S/C18H36N2/c1-14(2)10-20-11-16(8-15-6-7-15)9-17(12-20)19-13-18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyTVUPQAUABYLVMB-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(cyclopropylmethyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995297
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
N-(cyclopentylmethyl)-5-(cyclopropylmethyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83997691
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
1-butyl-5-(cyclopropylmethyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994249
5-(cyclopropylmethyl)-N-(2-methylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994285
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251
2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile
CID 83992649
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine?
The IUPAC name of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine (CID 83994925) is 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine is CC(C)CN1CC(CC2CC2)CC(NCC(C)(C)C)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine?
The InChIKey is TVUPQAUABYLVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)10-20-11-16(8-15-6-7-15)9-17(12-20)19-13-18(3,4)5/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine?
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine has a molecular weight of 280.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine is sourced from PubChem (CID 83994925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).