2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine

C17H32N4 — CID 66131010

IUPAC2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
SMILESCCCC1CCCN(C(CN)c2cncn2CCC)CC1
InChIInChI=1S/C17H32N4/c1-3-6-15-7-5-10-20(11-8-15)16(12-18)17-13-19-14-21(17)9-4-2/h13-16H,3-12,18H2,1-2H3
InChIKeyXAOQCHCQSRKTDM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.20
Rot. Bonds7

About 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine

2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine (PubChem CID 66131010) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
PubChem CID66131010
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
SMILESCCCC1CCCN(C(CN)c2cncn2CCC)CC1
InChIInChI=1S/C17H32N4/c1-3-6-15-7-5-10-20(11-8-15)16(12-18)17-13-19-14-21(17)9-4-2/h13-16H,3-12,18H2,1-2H3
InChIKeyXAOQCHCQSRKTDM-UHFFFAOYSA-N
XLogP3.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propylimidazol-4-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 66130807
2-(4-ethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131009
2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
CID 66163414
2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131413
1-[2-amino-1-(3-propylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66132201
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66391495
2-(2-ethylpyrrolidin-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66130403
2-(2-ethylpiperidin-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66130796
2-(4,4-dimethylpiperidin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133686
2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 66141630
2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133264
N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130810

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine (CID 66131010) is 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine is CCCC1CCCN(C(CN)c2cncn2CCC)CC1.
What is the InChIKey of 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The InChIKey is XAOQCHCQSRKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-3-6-15-7-5-10-20(11-8-15)16(12-18)17-13-19-14-21(17)9-4-2/h13-16H,3-12,18H2,1-2H3.
What are the key properties of 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66131010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).