N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine

C10H19N3O — CID 102698134

IUPACN-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
SMILESCOC(C)CNCCCn1ccnc1
InChIInChI=1S/C10H19N3O/c1-10(14-2)8-11-4-3-6-13-7-5-12-9-13/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyKTVZUPUWKPFNPI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.90
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine

N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine (PubChem CID 102698134) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
PubChem CID102698134
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
SMILESCOC(C)CNCCCn1ccnc1
InChIInChI=1S/C10H19N3O/c1-10(14-2)8-11-4-3-6-13-7-5-12-9-13/h5,7,9-11H,3-4,6,8H2,1-2H3
InChIKeyKTVZUPUWKPFNPI-UHFFFAOYSA-N
XLogP0.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
1-(4-imidazol-1-ylbutylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989768
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
(3-imidazol-1-ylpropylamino)methyl formate
CID 142974102
1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
CID 63930273
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
methyl 2-(3-imidazol-1-ylpropylamino)-3-methylbutanoate
CID 54961185

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine (CID 102698134) is N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine is COC(C)CNCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine?
The InChIKey is KTVZUPUWKPFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(14-2)8-11-4-3-6-13-7-5-12-9-13/h5,7,9-11H,3-4,6,8H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine?
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 102698134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).