N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine

C16H30N4 — CID 79070501

IUPACN,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCNC(c1nccn1C)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H30N4/c1-5-17-14(15-18-12-13-19(15)4)16(10-8-9-11-16)20(6-2)7-3/h12-14,17H,5-11H2,1-4H3
InChIKeyPTYVXQWNJJLGSI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.73
Rot. Bonds7

About N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine

N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 79070501) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID79070501
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCNC(c1nccn1C)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H30N4/c1-5-17-14(15-18-12-13-19(15)4)16(10-8-9-11-16)20(6-2)7-3/h12-14,17H,5-11H2,1-4H3
InChIKeyPTYVXQWNJJLGSI-UHFFFAOYSA-N
XLogP2.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 116770958
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069803
N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79059688
1-[amino-(1-methylimidazol-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069821
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
N-methyl-1-(1-methylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 115859986
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 79064561
N,N-diethyl-1-[methylamino(pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79069881
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79050671

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine (CID 79070501) is N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine is CCNC(c1nccn1C)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is PTYVXQWNJJLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-17-14(15-18-12-13-19(15)4)16(10-8-9-11-16)20(6-2)7-3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine?
N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79070501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).