3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine

C12H26N2 — CID 104582088

IUPAC3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESC=CCCC(C)NC(C)CCN(C)C
InChIInChI=1S/C12H26N2/c1-6-7-8-11(2)13-12(3)9-10-14(4)5/h6,11-13H,1,7-10H2,2-5H3
InChIKeyPWNRRQQSUUTKTJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds8

About 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine

3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 104582088) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID104582088
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
SMILESC=CCCC(C)NC(C)CCN(C)C
InChIInChI=1S/C12H26N2/c1-6-7-8-11(2)13-12(3)9-10-14(4)5/h6,11-13H,1,7-10H2,2-5H3
InChIKeyPWNRRQQSUUTKTJ-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pentenylamine, N,1-dimethyl-
CID 3051131
N-butylpent-4-en-1-amine
CID 15570247
Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
N-Propylpent-4-en-1-amine
CID 12397189
(Hex-5-en-1-yl)(propyl)amine
CID 12397191
2-Propylamino-5-hexene
CID 12541939
N'-hex-5-enylpropane-1,3-diamine
CID 15457839
Isopropylpent-4-enylamine
CID 551578
N-methylhept-6-en-3-amine
CID 13800648
N-propan-2-ylhex-5-en-1-amine
CID 55298871
N-but-3-enylhex-5-en-2-amine
CID 11332577
N-but-3-enylhept-6-en-2-amine
CID 11480663

Frequently Asked Questions

What is the IUPAC name of 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine (CID 104582088) is 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine is C=CCCC(C)NC(C)CCN(C)C.
What is the InChIKey of 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is PWNRRQQSUUTKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-7-8-11(2)13-12(3)9-10-14(4)5/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 104582088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).