(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine

C14H29N — CID 155208566

IUPAC(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine
SMILESC/C=C(\CCN(C)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-8-13(11-14(4,5)6)9-10-15(7)12(2)3/h8,12H,9-11H2,1-7H3/b13-8+
InChIKeyAHEPQTXWYATKDD-MDWZMJQESA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds5

About (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine

(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine (PubChem CID 155208566) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine
PubChem CID155208566
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine
SMILESC/C=C(\CCN(C)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-8-13(11-14(4,5)6)9-10-15(7)12(2)3/h8,12H,9-11H2,1-7H3/b13-8+
InChIKeyAHEPQTXWYATKDD-MDWZMJQESA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine (CID 155208566) is (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine is C/C=C(\CCN(C)C(C)C)CC(C)(C)C.
What is the InChIKey of (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is AHEPQTXWYATKDD-MDWZMJQESA-N. The full InChI is InChI=1S/C14H29N/c1-8-13(11-14(4,5)6)9-10-15(7)12(2)3/h8,12H,9-11H2,1-7H3/b13-8+.
What are the key properties of (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine?
(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 155208566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).