1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine

C12H26N2 — CID 115717053

IUPAC1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
SMILESC=CCCC(CC)NCC(C)N(C)C
InChIInChI=1S/C12H26N2/c1-6-8-9-12(7-2)13-10-11(3)14(4)5/h6,11-13H,1,7-10H2,2-5H3
InChIKeyPMGJTYZSFPOXKH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds8

About 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine

1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 115717053) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID115717053
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
SMILESC=CCCC(CC)NCC(C)N(C)C
InChIInChI=1S/C12H26N2/c1-6-8-9-12(7-2)13-10-11(3)14(4)5/h6,11-13H,1,7-10H2,2-5H3
InChIKeyPMGJTYZSFPOXKH-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

N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
CID 115717037
N-(1-ethylsulfonylpropan-2-yl)hept-6-en-3-amine
CID 115889877
1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115718086
N-ethyl-7-methylnon-1-en-5-amine
CID 104987440
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716
2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
1-ethylsulfanyl-N-methylhex-5-en-2-amine
CID 65127590
3-(hept-6-en-3-ylamino)butanamide
CID 115867780
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hept-6-en-3-amine
CID 115724027

Frequently Asked Questions

What is the IUPAC name of 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine (CID 115717053) is 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine is C=CCCC(CC)NCC(C)N(C)C.
What is the InChIKey of 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is PMGJTYZSFPOXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-8-9-12(7-2)13-10-11(3)14(4)5/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-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 1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115717053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).