(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine

C14H27N — CID 129213118

IUPAC(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
SMILESC=C/C(C)=C(\CC(C)C)N(CC)C(C)C
InChIInChI=1S/C14H27N/c1-8-13(7)14(10-11(3)4)15(9-2)12(5)6/h8,11-12H,1,9-10H2,2-7H3/b14-13+
InChIKeyLFGMWNBREQFXBT-BUHFOSPRSA-N
MW209.38 g/mol
LogP4.22
Rot. Bonds6

About (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine

(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine (PubChem CID 129213118) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
PubChem CID129213118
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
SMILESC=C/C(C)=C(\CC(C)C)N(CC)C(C)C
InChIInChI=1S/C14H27N/c1-8-13(7)14(10-11(3)4)15(9-2)12(5)6/h8,11-12H,1,9-10H2,2-7H3/b14-13+
InChIKeyLFGMWNBREQFXBT-BUHFOSPRSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
N-ethyl-3-methyl-N-propan-2-ylbutanethioamide
CID 91178323
(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
CID 140523828
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
CID 144627723
N-ethyl-2-methyl-N-propan-2-ylbut-2-enamide
CID 123568931
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
N-ethyl-N-prop-1-en-2-ylbutan-2-amine
CID 143392263
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene
CID 143345850

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine?
The IUPAC name of (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine (CID 129213118) is (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine.
What is the SMILES notation for (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine?
The canonical SMILES for (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine is C=C/C(C)=C(\CC(C)C)N(CC)C(C)C.
What is the InChIKey of (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine?
The InChIKey is LFGMWNBREQFXBT-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H27N/c1-8-13(7)14(10-11(3)4)15(9-2)12(5)6/h8,11-12H,1,9-10H2,2-7H3/b14-13+.
What are the key properties of (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine?
(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine has a molecular weight of 209.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine is sourced from PubChem (CID 129213118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).