1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane

C18H32N4 — CID 56870229

IUPAC1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane
SMILESCCn1ccnc1CN1CCCN(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C18H32N4/c1-4-21-11-8-19-18(21)14-20-9-5-10-22(12-16-6-7-16)17(13-20)15(2)3/h8,11,15-17H,4-7,9-10,12-14H2,1-3H3
InChIKeyCAHRGWQTMJGCLL-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.85
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane

1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane (PubChem CID 56870229) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane
PubChem CID56870229
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane
SMILESCCn1ccnc1CN1CCCN(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C18H32N4/c1-4-21-11-8-19-18(21)14-20-9-5-10-22(12-16-6-7-16)17(13-20)15(2)3/h8,11,15-17H,4-7,9-10,12-14H2,1-3H3
InChIKeyCAHRGWQTMJGCLL-UHFFFAOYSA-N
XLogP2.85
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-3-isopropyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one
CID 56865566
4-(cyclopropylmethyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one
CID 56867908
4-(cyclopropylmethyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-isopropyl-1,4-diazepan-5-one
CID 56873299
8-(Cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118747223
1-Butyl-2-(1-methylethyl)-1H-imidazole
CID 11506521
1-Butyl-3-methyl-2-propan-2-ylimidazol-3-ium
CID 11590734
(2-azepan-1-ylethyl)ethyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 46982644
1-Cyclopentyl-4-(3-imidazol-1-ylpropyl)-1,4-diazepane
CID 86782337
(3-azepan-1-ylpropyl)[(1-isopropyl-1H-imidazol-2-yl)methyl]methylamine
CID 91761698
(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 164636420
1-(2-Methylpropyl)-2-propylimidazole
CID 15557011
1-Methyl-2-(1-methylpropyl)-1H-imidazole
CID 71438238

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane (CID 56870229) is 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane is CCn1ccnc1CN1CCCN(CC2CC2)C(C(C)C)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane?
The InChIKey is CAHRGWQTMJGCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-4-21-11-8-19-18(21)14-20-9-5-10-22(12-16-6-7-16)17(13-20)15(2)3/h8,11,15-17H,4-7,9-10,12-14H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane?
1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane has a molecular weight of 304.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 56870229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).