(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine

C10H19N — CID 143682568

IUPAC(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine
SMILESC=CCC/C=C/N(C)C(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-8-9-11(4)10(2)3/h5,8-10H,1,6-7H2,2-4H3/b9-8+
InChIKeyKKWNXTQCUTULCZ-CMDGGOBGSA-N
MW153.27 g/mol
LogP2.81
Rot. Bonds5

About (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine

(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine (PubChem CID 143682568) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine
PubChem CID143682568
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine
SMILESC=CCC/C=C/N(C)C(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-8-9-11(4)10(2)3/h5,8-10H,1,6-7H2,2-4H3/b9-8+
InChIKeyKKWNXTQCUTULCZ-CMDGGOBGSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
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

(5E)-deca-1,5,9-triene
CID 5362636
8-methylnona-1,5-diene
CID 54303226
ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
7-methyldeca-1,5-diene
CID 123987303
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
ethene;octa-1,5-diene
CID 175164046
ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102
8-methyldeca-1,5-dien-9-yne
CID 123619930
carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
CID 161382891
(1E)-1-methylsulfanylhexa-1,5-diene
CID 101001701

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine?
The IUPAC name of (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine (CID 143682568) is (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine?
The canonical SMILES for (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine is C=CCC/C=C/N(C)C(C)C.
What is the InChIKey of (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine?
The InChIKey is KKWNXTQCUTULCZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-7-8-9-11(4)10(2)3/h5,8-10H,1,6-7H2,2-4H3/b9-8+.
What are the key properties of (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine?
(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine is sourced from PubChem (CID 143682568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).