3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine

C15H31N3 — CID 114086482

IUPAC3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine
SMILESCC1CN(C)CCCN1C(C)(CN)CC1CCC1
InChIInChI=1S/C15H31N3/c1-13-11-17(3)8-5-9-18(13)15(2,12-16)10-14-6-4-7-14/h13-14H,4-12,16H2,1-3H3
InChIKeyFSWLNZRKPZTMNJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds4

About 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine

3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine (PubChem CID 114086482) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine
PubChem CID114086482
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine
SMILESCC1CN(C)CCCN1C(C)(CN)CC1CCC1
InChIInChI=1S/C15H31N3/c1-13-11-17(3)8-5-9-18(13)15(2,12-16)10-14-6-4-7-14/h13-14H,4-12,16H2,1-3H3
InChIKeyFSWLNZRKPZTMNJ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine
CID 113490037
3-cyclobutyl-2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 113489953
3-methoxy-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 62534541
3-cyclopropyl-2-(3-methoxypiperidin-1-yl)-2-methylpropan-1-amine
CID 102965180
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2-methyl-2-(2-methylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 114993616
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine
CID 103531968
3-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-amine
CID 113489986
1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine
CID 114087088
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine (CID 114086482) is 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine is CC1CN(C)CCCN1C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
The InChIKey is FSWLNZRKPZTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-11-17(3)8-5-9-18(13)15(2,12-16)10-14-6-4-7-14/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114086482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).