N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine

C15H28N2 — CID 123264969

IUPACN,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine
SMILESC=C(C)/C=C\C(CC)=N\C(CC)CCN(C)C
InChIInChI=1S/C15H28N2/c1-7-14(10-9-13(3)4)16-15(8-2)11-12-17(5)6/h9-10,15H,3,7-8,11-12H2,1-2,4-6H3/b10-9-,16-14+
InChIKeyYYTJEVPKZJKRMG-KZWAOIJQSA-N
MW236.40 g/mol
LogP3.70
Rot. Bonds8

About N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine

N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine (PubChem CID 123264969) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine
PubChem CID123264969
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine
SMILESC=C(C)/C=C\C(CC)=N\C(CC)CCN(C)C
InChIInChI=1S/C15H28N2/c1-7-14(10-9-13(3)4)16-15(8-2)11-12-17(5)6/h9-10,15H,3,7-8,11-12H2,1-2,4-6H3/b10-9-,16-14+
InChIKeyYYTJEVPKZJKRMG-KZWAOIJQSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67309399
1,7-Diazatricyclo[6.2.2.23,6]tetradeca-3(14),4,6-triene
CID 68084730
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
N,N-dimethyl-2-prop-1-enyl-2,3-dihydroquinolin-4-amine
CID 90750630
(5-Ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium
CID 91078747
2-ethyl-1-methyl-3,9-dihydro-2H-cyclohepta[b]pyrazin-1-ium
CID 91803313
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
5-Buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine
CID 123505686
N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
CID 123685297
N-[2-[[(6Z)-6-[(E)-but-2-enylidene]-4-methylcyclohexa-2,4-dien-1-ylidene]amino]ethyl]-N-ethyl-4-methylpent-4-en-1-amine
CID 137417400
N,N-dimethyl-2-[[(2Z,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-2,5-dien-4-ylidene]amino]propan-1-amine;ethane;prop-1-ene
CID 144383747
ethane;(3E)-5-methyl-4-methylidene-1-[(Z)-prop-1-enyl]-3-prop-2-enylidene-2H-pyrrol-1-ium
CID 145695705

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine (CID 123264969) is N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine is C=C(C)/C=C\C(CC)=N\C(CC)CCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine?
The InChIKey is YYTJEVPKZJKRMG-KZWAOIJQSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-14(10-9-13(3)4)16-15(8-2)11-12-17(5)6/h9-10,15H,3,7-8,11-12H2,1-2,4-6H3/b10-9-,16-14+.
What are the key properties of N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine?
N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine is sourced from PubChem (CID 123264969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).