N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine

C16H26N2 — CID 80525549

IUPACN-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine
SMILESCCCC(CCC)(CNC1CC1)c1ccncc1
InChIInChI=1S/C16H26N2/c1-3-9-16(10-4-2,13-18-15-5-6-15)14-7-11-17-12-8-14/h7-8,11-12,15,18H,3-6,9-10,13H2,1-2H3
InChIKeyMEDYQPAUCLHZFS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.67
Rot. Bonds8

About N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine

N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine (PubChem CID 80525549) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine
PubChem CID80525549
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine
SMILESCCCC(CCC)(CNC1CC1)c1ccncc1
InChIInChI=1S/C16H26N2/c1-3-9-16(10-4-2,13-18-15-5-6-15)14-7-11-17-12-8-14/h7-8,11-12,15,18H,3-6,9-10,13H2,1-2H3
InChIKeyMEDYQPAUCLHZFS-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377
N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
CID 63508646
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258429
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 62595704
1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine
CID 79122529
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
CID 65108384
N-(2-cyclopropyl-2-methylpentyl)cyclopropanamine
CID 83159526
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602
4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
CID 115149949

Frequently Asked Questions

What is the IUPAC name of N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine?
The IUPAC name of N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine (CID 80525549) is N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine.
What is the SMILES notation for N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine?
The canonical SMILES for N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine is CCCC(CCC)(CNC1CC1)c1ccncc1.
What is the InChIKey of N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine?
The InChIKey is MEDYQPAUCLHZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-9-16(10-4-2,13-18-15-5-6-15)14-7-11-17-12-8-14/h7-8,11-12,15,18H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine?
N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine has a molecular weight of 246.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyl-2-pyridin-4-ylpentyl)cyclopropanamine is sourced from PubChem (CID 80525549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).