1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine

C12H26N2 — CID 115346716

IUPAC1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
SMILESC=CCCC(CCN(C)C)NCCC
InChIInChI=1S/C12H26N2/c1-5-7-8-12(13-10-6-2)9-11-14(3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeySRZLBCYXBCXVIV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds9

About 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine

1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine (PubChem CID 115346716) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
PubChem CID115346716
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
SMILESC=CCCC(CCN(C)C)NCCC
InChIInChI=1S/C12H26N2/c1-5-7-8-12(13-10-6-2)9-11-14(3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeySRZLBCYXBCXVIV-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-propylundec-1-en-5-amine
CID 104987530
1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
1-tert-butylsulfanyl-N-propylhex-5-en-2-amine
CID 65132303
1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115718086
3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104582088
5-ethyl-1-N,1-N-dimethyl-3-N-propylnonane-1,3-diamine
CID 113291360
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
N-propylhepta-1,6-dien-4-amine
CID 88756960
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
N,6-dipropylnon-1-en-5-amine
CID 104987362
N-ethyltridec-1-en-5-amine
CID 104987742

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine (CID 115346716) is 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine is C=CCCC(CCN(C)C)NCCC.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine?
The InChIKey is SRZLBCYXBCXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-8-12(13-10-6-2)9-11-14(3)4/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine?
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine is sourced from PubChem (CID 115346716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).