(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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Related Compounds

ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 142416961
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
CID 143921031
(2R,4E)-4-methyl-3-[(3Z)-penta-1,3-dien-2-yl]-1-(propan-2-ylamino)hepta-4,6-dien-2-ol
CID 130415407
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
bromomethane;ethane;ethene;methane;[[(5Z)-5-[(Z)-prop-1-enyl]octa-5,7-dienoyl]amino]urea
CID 144804327
(Z,6Z)-N-ethenyl-6-ethylidenenon-7-en-2-amine
CID 143109224

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).