N,5-dimethylhex-4-en-1-amine;ethane

C10H23N — CID 145111229

IUPACN,5-dimethylhex-4-en-1-amine;ethane
SMILESCC.CNCCCC=C(C)C
InChIInChI=1S/C8H17N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h6,9H,4-5,7H2,1-3H3;1-2H3
InChIKeyJWBPTZCFGPNCHE-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.98
Rot. Bonds4

About N,5-dimethylhex-4-en-1-amine;ethane

N,5-dimethylhex-4-en-1-amine;ethane (PubChem CID 145111229) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N,5-dimethylhex-4-en-1-amine;ethane.

Molecular Properties

Compound NameN,5-dimethylhex-4-en-1-amine;ethane
PubChem CID145111229
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN,5-dimethylhex-4-en-1-amine;ethane
SMILESCC.CNCCCC=C(C)C
InChIInChI=1S/C8H17N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h6,9H,4-5,7H2,1-3H3;1-2H3
InChIKeyJWBPTZCFGPNCHE-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
CID 145283944
N,3-dimethylbut-2-en-1-amine
CID 12688299
5-methylhex-4-ene-1-thiol
CID 123779789
ethane;9-(methylamino)nonanal
CID 164864319
ethane;8-(methylamino)octanal
CID 164864481
N,3-dimethylbut-2-en-1-amine;hydrochloride
CID 155386233
(E)-N,4-dimethylhex-3-en-1-amine;ethane
CID 144566513
(6R)-6-deuterio-2-methylhept-2-ene
CID 175923111
6-methoxy-2-methylhex-2-ene
CID 59087760
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
N-methylhept-4-en-1-amine
CID 122695118

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhex-4-en-1-amine;ethane?
The IUPAC name of N,5-dimethylhex-4-en-1-amine;ethane (CID 145111229) is N,5-dimethylhex-4-en-1-amine;ethane.
What is the SMILES notation for N,5-dimethylhex-4-en-1-amine;ethane?
The canonical SMILES for N,5-dimethylhex-4-en-1-amine;ethane is CC.CNCCCC=C(C)C.
What is the InChIKey of N,5-dimethylhex-4-en-1-amine;ethane?
The InChIKey is JWBPTZCFGPNCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h6,9H,4-5,7H2,1-3H3;1-2H3.
What are the key properties of N,5-dimethylhex-4-en-1-amine;ethane?
N,5-dimethylhex-4-en-1-amine;ethane has a molecular weight of 157.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhex-4-en-1-amine;ethane is sourced from PubChem (CID 145111229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).