(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine

C9H16N2 — CID 155407635

IUPAC(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine
SMILESC=NN/C=C(\C=C/C)C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-9(8(2)3)7-11-10-4/h5-8,11H,4H2,1-3H3/b6-5-,9-7+
InChIKeyHWPFZJMSYNYLFT-BZWSEGBZSA-N
MW152.24 g/mol
LogP2.31
Rot. Bonds4

About (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine

(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine (PubChem CID 155407635) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine
PubChem CID155407635
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine
SMILESC=NN/C=C(\C=C/C)C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-9(8(2)3)7-11-10-4/h5-8,11H,4H2,1-3H3/b6-5-,9-7+
InChIKeyHWPFZJMSYNYLFT-BZWSEGBZSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 143080531
(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine
CID 170210822
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
CID 130348007
(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 142105650
(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine
CID 143984817
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
N-tert-butyl-3-[(3Z,5Z)-4-propan-2-ylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine
CID 146606134

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine (CID 155407635) is (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine is C=NN/C=C(\C=C/C)C(C)C.
What is the InChIKey of (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine?
The InChIKey is HWPFZJMSYNYLFT-BZWSEGBZSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-9(8(2)3)7-11-10-4/h5-8,11H,4H2,1-3H3/b6-5-,9-7+.
What are the key properties of (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine?
(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine is sourced from PubChem (CID 155407635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).