N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine

C14H26N2 — CID 117205505

IUPACN-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
SMILESCC(C)N1CC=C(CNC2CCCC2)CC1
InChIInChI=1S/C14H26N2/c1-12(2)16-9-7-13(8-10-16)11-15-14-5-3-4-6-14/h7,12,14-15H,3-6,8-11H2,1-2H3
InChIKeyQMTRUBMQRYYBIK-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.56
Rot. Bonds4

About N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine

N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine (PubChem CID 117205505) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
PubChem CID117205505
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
SMILESCC(C)N1CC=C(CNC2CCCC2)CC1
InChIInChI=1S/C14H26N2/c1-12(2)16-9-7-13(8-10-16)11-15-14-5-3-4-6-14/h7,12,14-15H,3-6,8-11H2,1-2H3
InChIKeyQMTRUBMQRYYBIK-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]cyclopentanamine
CID 117205551
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205525
N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine
CID 117205432
N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205765
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
CID 130841585
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072748
4-(2-methylpropyl)-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 123933738
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
1-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)azepan-4-amine
CID 65073250

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine (CID 117205505) is N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine is CC(C)N1CC=C(CNC2CCCC2)CC1.
What is the InChIKey of N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine?
The InChIKey is QMTRUBMQRYYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2)16-9-7-13(8-10-16)11-15-14-5-3-4-6-14/h7,12,14-15H,3-6,8-11H2,1-2H3.
What are the key properties of N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine?
N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine has a molecular weight of 222.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117205505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).