1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine

C16H30N4 — CID 79069803

IUPAC1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCCn1ccnc1C(N)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H30N4/c1-4-12-19-13-11-18-15(19)14(17)16(9-7-8-10-16)20(5-2)6-3/h11,13-14H,4-10,12,17H2,1-3H3
InChIKeyYKZFVRJZTLLHAI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds7

About 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 79069803) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID79069803
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCCn1ccnc1C(N)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H30N4/c1-4-12-19-13-11-18-15(19)14(17)16(9-7-8-10-16)20(5-2)6-3/h11,13-14H,4-10,12,17H2,1-3H3
InChIKeyYKZFVRJZTLLHAI-UHFFFAOYSA-N
XLogP2.95
TPSA47.08 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 79064561
1-[amino-(1-methylimidazol-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069821
N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79070501
(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116769075
(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116768061
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
1-[amino-(1-methylpyrazol-4-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069951
1-(1-ethylcyclopentyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 115858981
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79070030
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
(1-ethylimidazol-2-yl)-(1-phenylcyclopentyl)methanamine
CID 63968147

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine (CID 79069803) is 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine is CCCn1ccnc1C(N)C1(N(CC)CC)CCCC1.
What is the InChIKey of 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is YKZFVRJZTLLHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-12-19-13-11-18-15(19)14(17)16(9-7-8-10-16)20(5-2)6-3/h11,13-14H,4-10,12,17H2,1-3H3.
What are the key properties of 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 79069803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).