N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine

C10H17N3 — CID 63000739

IUPACN-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
SMILESCC(NCc1cnc[nH]1)C1(C)CC1
InChIInChI=1S/C10H17N3/c1-8(10(2)3-4-10)12-6-9-5-11-7-13-9/h5,7-8,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyPZJHJTKKUSPYLG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.69
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine

N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine (PubChem CID 63000739) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
PubChem CID63000739
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
SMILESCC(NCc1cnc[nH]1)C1(C)CC1
InChIInChI=1S/C10H17N3/c1-8(10(2)3-4-10)12-6-9-5-11-7-13-9/h5,7-8,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyPZJHJTKKUSPYLG-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
CID 79254560
1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724271
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
N-(1H-imidazol-5-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358490
N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine
CID 104655741
1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 103110027
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747411
3-(1H-imidazol-5-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 115642715

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine (CID 63000739) is N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine is CC(NCc1cnc[nH]1)C1(C)CC1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
The InChIKey is PZJHJTKKUSPYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(10(2)3-4-10)12-6-9-5-11-7-13-9/h5,7-8,12H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 63000739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).