N-butyl-N'-hex-3-enylmethanediamine

C11H24N2 — CID 123896170

IUPACN-butyl-N'-hex-3-enylmethanediamine
SMILESCCC=CCCNCNCCCC
InChIInChI=1S/C11H24N2/c1-3-5-7-8-10-13-11-12-9-6-4-2/h5,7,12-13H,3-4,6,8-11H2,1-2H3
InChIKeyDTIKZCJMGRVFIE-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.28
Rot. Bonds9

About N-butyl-N'-hex-3-enylmethanediamine

N-butyl-N'-hex-3-enylmethanediamine (PubChem CID 123896170) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-butyl-N'-hex-3-enylmethanediamine.

Molecular Properties

Compound NameN-butyl-N'-hex-3-enylmethanediamine
PubChem CID123896170
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-butyl-N'-hex-3-enylmethanediamine
SMILESCCC=CCCNCNCCCC
InChIInChI=1S/C11H24N2/c1-3-5-7-8-10-13-11-12-9-6-4-2/h5,7,12-13H,3-4,6,8-11H2,1-2H3
InChIKeyDTIKZCJMGRVFIE-UHFFFAOYSA-N
XLogP2.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethylamino-2-pentene
CID 54400744
1,1-Diethylamino-3,8-nonadiene
CID 129810738
1,1-Dimethylamino-3,8-nonadiene
CID 129810741
(E)-N-butylpent-3-en-1-amine
CID 15570249
(Z)-N-butylpent-3-en-1-amine
CID 15570250
N,N'-diethyl-trans-3-heptene-1,7-diamine
CID 21453009
2,3,4,5,6,9-hexahydro-1H-1,3-diazonine
CID 53786792
N-butylhex-3-en-1-amine
CID 54358990
N~1~,N~7~-Diethylhept-3-ene-1,7-diamine
CID 54389461
(Z)-N'-methylhex-3-ene-1,6-diamine
CID 58788122
2-Pent-2-enylimidazolidine
CID 70166734
N'-methylhex-3-ene-1,6-diamine
CID 72424479

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-hex-3-enylmethanediamine?
The IUPAC name of N-butyl-N'-hex-3-enylmethanediamine (CID 123896170) is N-butyl-N'-hex-3-enylmethanediamine.
What is the SMILES notation for N-butyl-N'-hex-3-enylmethanediamine?
The canonical SMILES for N-butyl-N'-hex-3-enylmethanediamine is CCC=CCCNCNCCCC.
What is the InChIKey of N-butyl-N'-hex-3-enylmethanediamine?
The InChIKey is DTIKZCJMGRVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-5-7-8-10-13-11-12-9-6-4-2/h5,7,12-13H,3-4,6,8-11H2,1-2H3.
What are the key properties of N-butyl-N'-hex-3-enylmethanediamine?
N-butyl-N'-hex-3-enylmethanediamine has a molecular weight of 184.33 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-hex-3-enylmethanediamine is sourced from PubChem (CID 123896170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).