4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine

C12H22N2 — CID 123978975

IUPAC4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
SMILESC=NC(=CC(=C)C)CNCCCCC
InChIInChI=1S/C12H22N2/c1-5-6-7-8-14-10-12(13-4)9-11(2)3/h9,14H,2,4-8,10H2,1,3H3
InChIKeyCTUZBSKCYDPMPD-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds8

About 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine

4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine (PubChem CID 123978975) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
PubChem CID123978975
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
SMILESC=NC(=CC(=C)C)CNCCCCC
InChIInChI=1S/C12H22N2/c1-5-6-7-8-14-10-12(13-4)9-11(2)3/h9,14H,2,4-8,10H2,1,3H3
InChIKeyCTUZBSKCYDPMPD-UHFFFAOYSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-6-fluoro-1-N-methyl-5-(methylideneamino)-2-propylhepta-2,4-diene-1,6-diamine
CID 156395033
(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine
CID 88918610
N-methyl-4-prop-1-en-2-yl-1,2,3,6-tetrahydropyridin-5-amine
CID 89510159
Cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium
CID 91302856
N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 123352668
(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine
CID 126675827
2-N-ethenyl-3-N-[(3E,4Z)-3-ethylidene-4-methylhepta-1,4-dien-2-yl]hex-1-ene-2,3-diamine
CID 126678821
(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
CID 130181126
7-Methyl-1,2,8,8a-tetrahydroquinoxaline
CID 130349886
(1E,3E,5Z)-4-ethenyl-N-methyl-5-(methylideneamino)-N'-propylhepta-1,3,5-triene-1,7-diamine
CID 132038843
(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine
CID 134239482
N-methyl-1-(5-methyl-4-methylidene-2,3-dihydro-1H-pyridin-6-yl)methanamine
CID 134292161

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine?
The IUPAC name of 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine (CID 123978975) is 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine.
What is the SMILES notation for 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine?
The canonical SMILES for 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine is C=NC(=CC(=C)C)CNCCCCC.
What is the InChIKey of 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine?
The InChIKey is CTUZBSKCYDPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-8-14-10-12(13-4)9-11(2)3/h9,14H,2,4-8,10H2,1,3H3.
What are the key properties of 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine?
4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine is sourced from PubChem (CID 123978975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).