N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine

C23H35N — CID 171081806

IUPACN-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine
SMILESC=C/C=C\C(=C)CN(Cc1ccccc1)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C23H35N/c1-8-9-13-20(2)16-24(17-21-14-11-10-12-15-21)19-23(6,7)18-22(3,4)5/h8-15H,1-2,16-19H2,3-7H3/b13-9-
InChIKeyLHFPHUVUARKESJ-LCYFTJDESA-N
MW325.54 g/mol
LogP6.25
Rot. Bonds9

About N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine

N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine (PubChem CID 171081806) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine.

Molecular Properties

Compound NameN-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine
PubChem CID171081806
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC NameN-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine
SMILESC=C/C=C\C(=C)CN(Cc1ccccc1)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C23H35N/c1-8-9-13-20(2)16-24(17-21-14-11-10-12-15-21)19-23(6,7)18-22(3,4)5/h8-15H,1-2,16-19H2,3-7H3/b13-9-
InChIKeyLHFPHUVUARKESJ-LCYFTJDESA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307
ethylbenzene;(3Z)-5-methylideneocta-1,3-diene
CID 142937087
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 162357982
ethyl 5-[benzyl-(5-ethoxy-2,2,4,4-tetramethyl-5-oxopentyl)amino]-2,2,4,4-tetramethylpentanoate
CID 91458273
1-N,1-N-dibenzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847858
2-[benzyl-(2-hydroxy-2-methylpropyl)amino]acetate
CID 86671796
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N,N-dibenzyl-2-methylbut-2-en-1-amine
CID 78088479
(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
CID 155405754
(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine
CID 167283713
tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 134867312

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine?
The IUPAC name of N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine (CID 171081806) is N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine.
What is the SMILES notation for N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine?
The canonical SMILES for N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine is C=C/C=C\C(=C)CN(Cc1ccccc1)CC(C)(C)CC(C)(C)C.
What is the InChIKey of N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine?
The InChIKey is LHFPHUVUARKESJ-LCYFTJDESA-N. The full InChI is InChI=1S/C23H35N/c1-8-9-13-20(2)16-24(17-21-14-11-10-12-15-21)19-23(6,7)18-22(3,4)5/h8-15H,1-2,16-19H2,3-7H3/b13-9-.
What are the key properties of N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine?
N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine has a molecular weight of 325.54 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine is sourced from PubChem (CID 171081806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).