1-N,1-N,3,4-tetramethylpentane-1,3-diamine

C9H22N2 — CID 57171035

IUPAC1-N,1-N,3,4-tetramethylpentane-1,3-diamine
SMILESCC(C)C(C)(N)CCN(C)C
InChIInChI=1S/C9H22N2/c1-8(2)9(3,10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeyYEETWHGXJXYULX-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds4

About 1-N,1-N,3,4-tetramethylpentane-1,3-diamine

1-N,1-N,3,4-tetramethylpentane-1,3-diamine (PubChem CID 57171035) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,1-N,3,4-tetramethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3,4-tetramethylpentane-1,3-diamine
PubChem CID57171035
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,1-N,3,4-tetramethylpentane-1,3-diamine
SMILESCC(C)C(C)(N)CCN(C)C
InChIInChI=1S/C9H22N2/c1-8(2)9(3,10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeyYEETWHGXJXYULX-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
CID 163258441
4,4-difluoro-N,N,3,3-tetramethylbutan-1-amine
CID 170950191
2-N-[2-(dimethylamino)ethyl]-2-N,2,3-trimethylbutane-1,2-diamine
CID 63694125
N,N-dimethylmethanamine;2,3,4-trimethylpentan-3-amine
CID 87751828
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
N',N',2-trimethyl-2-propylbutane-1,4-diamine
CID 167480826
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 172563999
1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine
CID 87644047
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64828090

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3,4-tetramethylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N,3,4-tetramethylpentane-1,3-diamine (CID 57171035) is 1-N,1-N,3,4-tetramethylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3,4-tetramethylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3,4-tetramethylpentane-1,3-diamine is CC(C)C(C)(N)CCN(C)C.
What is the InChIKey of 1-N,1-N,3,4-tetramethylpentane-1,3-diamine?
The InChIKey is YEETWHGXJXYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-8(2)9(3,10)6-7-11(4)5/h8H,6-7,10H2,1-5H3.
What are the key properties of 1-N,1-N,3,4-tetramethylpentane-1,3-diamine?
1-N,1-N,3,4-tetramethylpentane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3,4-tetramethylpentane-1,3-diamine is sourced from PubChem (CID 57171035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).