1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine

C14H28N2 — CID 62862349

IUPAC1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
SMILESCNC1CCCCCC1N(C)CC1CCC1
InChIInChI=1S/C14H28N2/c1-15-13-9-4-3-5-10-14(13)16(2)11-12-7-6-8-12/h12-15H,3-11H2,1-2H3
InChIKeyBFHCXPXCEWWJJU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds4

About 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine

1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine (PubChem CID 62862349) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
PubChem CID62862349
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
SMILESCNC1CCCCCC1N(C)CC1CCC1
InChIInChI=1S/C14H28N2/c1-15-13-9-4-3-5-10-14(13)16(2)11-12-7-6-8-12/h12-15H,3-11H2,1-2H3
InChIKeyBFHCXPXCEWWJJU-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
1-N-(cyclopentylmethyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828953
2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine
CID 62860228
1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
CID 79618494
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
2-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclohexan-1-amine
CID 61444642
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
2-methyl-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]butan-2-ol
CID 134429508
2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine (CID 62862349) is 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine is CNC1CCCCCC1N(C)CC1CCC1.
What is the InChIKey of 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine?
The InChIKey is BFHCXPXCEWWJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-15-13-9-4-3-5-10-14(13)16(2)11-12-7-6-8-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine?
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine is sourced from PubChem (CID 62862349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).