1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine

C13H30N2 — CID 166139395

IUPAC1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
SMILESCCC(C)CCN(C)C(C)CCN(C)C
InChIInChI=1S/C13H30N2/c1-7-12(2)8-11-15(6)13(3)9-10-14(4)5/h12-13H,7-11H2,1-6H3
InChIKeyAWEOVXHAQWKAQL-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.69
Rot. Bonds8

About 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine

1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine (PubChem CID 166139395) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
PubChem CID166139395
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
SMILESCCC(C)CCN(C)C(C)CCN(C)C
InChIInChI=1S/C13H30N2/c1-7-12(2)8-11-15(6)13(3)9-10-14(4)5/h12-13H,7-11H2,1-6H3
InChIKeyAWEOVXHAQWKAQL-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N-ethyl-N,5-dimethylheptan-2-amine
CID 91289323
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
CID 23198614
N,3-dimethyl-N-prop-1-ynylpentan-1-amine
CID 176700038

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine (CID 166139395) is 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine is CCC(C)CCN(C)C(C)CCN(C)C.
What is the InChIKey of 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine?
The InChIKey is AWEOVXHAQWKAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-12(2)8-11-15(6)13(3)9-10-14(4)5/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine?
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine is sourced from PubChem (CID 166139395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).