N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine

C14H29N — CID 155323319

IUPACN-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine
SMILESCCC(CC(=C(C)C)C(C)C)N(C)CC
InChIInChI=1S/C14H29N/c1-8-13(15(7)9-2)10-14(11(3)4)12(5)6/h11,13H,8-10H2,1-7H3
InChIKeyZXDODCHGVXUYPM-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine

N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine (PubChem CID 155323319) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine
PubChem CID155323319
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine
SMILESCCC(CC(=C(C)C)C(C)C)N(C)CC
InChIInChI=1S/C14H29N/c1-8-13(15(7)9-2)10-14(11(3)4)12(5)6/h11,13H,8-10H2,1-7H3
InChIKeyZXDODCHGVXUYPM-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine?
The IUPAC name of N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine (CID 155323319) is N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine.
What is the SMILES notation for N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine?
The canonical SMILES for N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine is CCC(CC(=C(C)C)C(C)C)N(C)CC.
What is the InChIKey of N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine?
The InChIKey is ZXDODCHGVXUYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-8-13(15(7)9-2)10-14(11(3)4)12(5)6/h11,13H,8-10H2,1-7H3.
What are the key properties of N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine?
N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,6-dimethyl-5-propan-2-ylhept-5-en-3-amine is sourced from PubChem (CID 155323319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).