3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine

C12H26N2 — CID 123373506

IUPAC3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine
SMILESCCC=C(CCN)N(C)CC(C)CC
InChIInChI=1S/C12H26N2/c1-5-7-12(8-9-13)14(4)10-11(3)6-2/h7,11H,5-6,8-10,13H2,1-4H3
InChIKeyDRDMFJWLEUCFKA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.61
Rot. Bonds7

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

3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine (PubChem CID 123373506) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine
PubChem CID123373506
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine
SMILESCCC=C(CCN)N(C)CC(C)CC
InChIInChI=1S/C12H26N2/c1-5-7-12(8-9-13)14(4)10-11(3)6-2/h7,11H,5-6,8-10,13H2,1-4H3
InChIKeyDRDMFJWLEUCFKA-UHFFFAOYSA-N
XLogP2.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-n-Propyl-4-ethylpyrroline
CID 129804295
(E)-N-ethyl-4-methylpent-2-en-3-amine
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CID 20781284
N-butyl-2,2,6,6-tetramethyl-1,3-dihydropyridin-4-amine
CID 53829469
4-Methyl-6-propyl-1,2,3,4-tetrahydropyridine
CID 53918850
3,5-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 58499138
3-ethyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 68039248
5-(2-methylpropyl)-2,3-dihydro-1H-pyrrole
CID 69525371
(E)-N-(3-methylbutyl)pent-2-en-2-amine
CID 87580789
(Z)-N-ethyl-4-methylpent-2-en-3-amine
CID 88248008
3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine
CID 89038997
N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine
CID 90999037

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine (CID 123373506) is 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine is CCC=C(CCN)N(C)CC(C)CC.
What is the InChIKey of 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine?
The InChIKey is DRDMFJWLEUCFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-12(8-9-13)14(4)10-11(3)6-2/h7,11H,5-6,8-10,13H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine?
3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine is sourced from PubChem (CID 123373506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).