1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine

C15H32N2 — CID 62568202

IUPAC1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCCC(C)NCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C15H32N2/c1-5-13(2)16-11-14(3)17(4)12-15-9-7-6-8-10-15/h13-16H,5-12H2,1-4H3
InChIKeyJNBBIODKYCJNOT-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.28
Rot. Bonds7

About 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine

1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62568202) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID62568202
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCCC(C)NCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C15H32N2/c1-5-13(2)16-11-14(3)17(4)12-15-9-7-6-8-10-15/h13-16H,5-12H2,1-4H3
InChIKeyJNBBIODKYCJNOT-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62856951
N-(cyclohexylmethyl)-1-iodo-N-methylethanamine
CID 154988433
2-N-(cyclopentylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 63631407
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine (CID 62568202) is 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine is CCC(C)NCC(C)N(C)CC1CCCCC1.
What is the InChIKey of 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is JNBBIODKYCJNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-13(2)16-11-14(3)17(4)12-15-9-7-6-8-10-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62568202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).