(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine

C12H20N2 — CID 170190802

IUPAC(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine
SMILESC=C(NC1CC1)C(/C=C\CCC)=C/N
InChIInChI=1S/C12H20N2/c1-3-4-5-6-11(9-13)10(2)14-12-7-8-12/h5-6,9,12,14H,2-4,7-8,13H2,1H3/b6-5-,11-9+
InChIKeyQKPANQDZDOAAQO-QEYVUMQQSA-N
MW192.31 g/mol
LogP2.45
Rot. Bonds6

About (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine

(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine (PubChem CID 170190802) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine
PubChem CID170190802
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine
SMILESC=C(NC1CC1)C(/C=C\CCC)=C/N
InChIInChI=1S/C12H20N2/c1-3-4-5-6-11(9-13)10(2)14-12-7-8-12/h5-6,9,12,14H,2-4,7-8,13H2,1H3/b6-5-,11-9+
InChIKeyQKPANQDZDOAAQO-QEYVUMQQSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropylnon-5-enamide
CID 123392162
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(E)-N-cyclopropylnon-2-enamide
CID 144516886
N-(oxolan-3-yl)hex-2-enamide
CID 67977572
(E)-2-methylidenehept-3-en-1-ol
CID 173423370
(E)-6-methylidenenon-4-ene
CID 14364497
benzyl carbamate;(Z)-N-cyclopropylhex-2-enamide;molecular hydrogen
CID 144746977
(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
CID 177234826
(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
CID 144516859
hex-2-enamide;2-methylprop-2-enamide
CID 174909220
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152

Frequently Asked Questions

What is the IUPAC name of (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine?
The IUPAC name of (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine (CID 170190802) is (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine?
The canonical SMILES for (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine is C=C(NC1CC1)C(/C=C\CCC)=C/N.
What is the InChIKey of (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine?
The InChIKey is QKPANQDZDOAAQO-QEYVUMQQSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-5-6-11(9-13)10(2)14-12-7-8-12/h5-6,9,12,14H,2-4,7-8,13H2,1H3/b6-5-,11-9+.
What are the key properties of (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine?
(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine is sourced from PubChem (CID 170190802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).