N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine

C18H31N3 — CID 79059688

IUPACN,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
SMILESCCNC(c1cnccc1C)C1(N(CC)CC)CCCC1
InChIInChI=1S/C18H31N3/c1-5-20-17(16-14-19-13-10-15(16)4)18(11-8-9-12-18)21(6-2)7-3/h10,13-14,17,20H,5-9,11-12H2,1-4H3
InChIKeyNONDONBXJZFDKS-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.70
Rot. Bonds7

About N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine

N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 79059688) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID79059688
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
SMILESCCNC(c1cnccc1C)C1(N(CC)CC)CCCC1
InChIInChI=1S/C18H31N3/c1-5-20-17(16-14-19-13-10-15(16)4)18(11-8-9-12-18)21(6-2)7-3/h10,13-14,17,20H,5-9,11-12H2,1-4H3
InChIKeyNONDONBXJZFDKS-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79070501
N,N-diethyl-1-[methylamino(pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79069881
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
[(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105275756
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071
3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
CID 105242617
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine (CID 79059688) is N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine is CCNC(c1cnccc1C)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is NONDONBXJZFDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-20-17(16-14-19-13-10-15(16)4)18(11-8-9-12-18)21(6-2)7-3/h10,13-14,17,20H,5-9,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine?
N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79059688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).