4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

C12H26N4 — CID 115606305

IUPAC4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=NCCN1
InChIInChI=1S/C12H26N4/c1-4-16(5-2)10-6-7-11(3)15-12-13-8-9-14-12/h11H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyLABIBFLOYPXXCS-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.05
Rot. Bonds7

About 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 115606305) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID115606305
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=NCCN1
InChIInChI=1S/C12H26N4/c1-4-16(5-2)10-6-7-11(3)15-12-13-8-9-14-12/h11H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyLABIBFLOYPXXCS-UHFFFAOYSA-N
XLogP1.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 115606316
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
CID 106889815
1-N,1-N-diethyl-4-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pentane-1,4-diamine
CID 559315
4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 115606305) is 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1=NCCN1.
What is the InChIKey of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is LABIBFLOYPXXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-16(5-2)10-6-7-11(3)15-12-13-8-9-14-12/h11H,4-10H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 226.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 115606305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).