1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine

C12H28N2 — CID 61428857

IUPAC1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CCC(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-12(13)10-14(4)9-8-11(2)3/h11-12H,5-10,13H2,1-4H3
InChIKeyNQGONICJNZEORN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds8

About 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine

1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine (PubChem CID 61428857) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
PubChem CID61428857
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CCC(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-12(13)10-14(4)9-8-11(2)3/h11-12H,5-10,13H2,1-4H3
InChIKeyNQGONICJNZEORN-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
CID 60852628
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
CID 63700771
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
icosane-5,10,16-triamine
CID 88870264
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine (CID 61428857) is 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine is CCCCC(N)CN(C)CCC(C)C.
What is the InChIKey of 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine?
The InChIKey is NQGONICJNZEORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-6-7-12(13)10-14(4)9-8-11(2)3/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine?
1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine is sourced from PubChem (CID 61428857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).