(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C12H21N — CID 134516324

IUPAC(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)CCNC(C)C
InChIInChI=1S/C12H21N/c1-5-7-12(8-6-2)9-10-13-11(3)4/h5-8,11,13H,1,9-10H2,2-4H3/b8-6-,12-7+
InChIKeyRJRBXNHLQSGYGD-LQNKLOEDSA-N
MW179.31 g/mol
LogP3.06
Rot. Bonds6

About (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 134516324) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID134516324
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)CCNC(C)C
InChIInChI=1S/C12H21N/c1-5-7-12(8-6-2)9-10-13-11(3)4/h5-8,11,13H,1,9-10H2,2-4H3/b8-6-,12-7+
InChIKeyRJRBXNHLQSGYGD-LQNKLOEDSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 134516324) is (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=C/C=C(\C=C/C)CCNC(C)C.
What is the InChIKey of (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is RJRBXNHLQSGYGD-LQNKLOEDSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-12(8-6-2)9-10-13-11(3)4/h5-8,11,13H,1,9-10H2,2-4H3/b8-6-,12-7+.
What are the key properties of (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 134516324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).