N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine

C10H22N2 — CID 91413458

IUPACN-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
SMILESCCNCCC(C)=CCCNC
InChIInChI=1S/C10H22N2/c1-4-12-9-7-10(2)6-5-8-11-3/h6,11-12H,4-5,7-9H2,1-3H3
InChIKeyWWNIPDJWIRQQHD-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.54
Rot. Bonds7

About N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine

N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine (PubChem CID 91413458) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine.

Molecular Properties

Compound NameN-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
PubChem CID91413458
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
SMILESCCNCCC(C)=CCCNC
InChIInChI=1S/C10H22N2/c1-4-12-9-7-10(2)6-5-8-11-3/h6,11-12H,4-5,7-9H2,1-3H3
InChIKeyWWNIPDJWIRQQHD-UHFFFAOYSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methylocta-3,7-dien-1-amine
CID 79599857
(E)-N,4-dimethylhex-3-en-1-amine;ethane
CID 144566513
(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608
N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
CID 79598076
N,4-dimethylhept-3-en-6-yn-1-amine
CID 79598050
(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine
CID 106735097
(E)-N,4,5,5-tetramethylhex-3-en-1-amine
CID 83694651
N,4,6-trimethylnon-3-en-1-amine
CID 79599077
5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
CID 79598587
N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
CID 79598190
(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
CID 145283944
4-methyl-N-propylnon-3-en-1-amine
CID 79597954

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine?
The IUPAC name of N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine (CID 91413458) is N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine.
What is the SMILES notation for N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine?
The canonical SMILES for N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine is CCNCCC(C)=CCCNC.
What is the InChIKey of N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine?
The InChIKey is WWNIPDJWIRQQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-12-9-7-10(2)6-5-8-11-3/h6,11-12H,4-5,7-9H2,1-3H3.
What are the key properties of N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine?
N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine is sourced from PubChem (CID 91413458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).