N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine

C28H51N — CID 6426056

IUPACN-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)Cc1cccc(C)c1
InChIInChI=1S/C28H51N/c1-4-6-8-10-12-14-16-18-23-29(26-28-22-20-21-27(3)25-28)24-19-17-15-13-11-9-7-5-2/h20-22,25H,4-19,23-24,26H2,1-3H3
InChIKeyCBFQTDCWCFJSHB-UHFFFAOYSA-N
MW401.72 g/mol
LogP9.08
Rot. Bonds20

About N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine

N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine (PubChem CID 6426056) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
PubChem CID6426056
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC NameN-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)Cc1cccc(C)c1
InChIInChI=1S/C28H51N/c1-4-6-8-10-12-14-16-18-23-29(26-28-22-20-21-27(3)25-28)24-19-17-15-13-11-9-7-5-2/h20-22,25H,4-19,23-24,26H2,1-3H3
InChIKeyCBFQTDCWCFJSHB-UHFFFAOYSA-N
XLogP9.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]butan-1-amine
CID 63389178
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
N-benzyl-N-propylhexan-1-amine
CID 123983090
ethane;1-methyl-3-pentylbenzene
CID 143267779
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dioctyloctan-1-amine;3-methylphenol
CID 174801839
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
1-amino-2-[3-[(dihexadecylamino)methyl]phenyl]butan-1-ol
CID 57019954
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437

Frequently Asked Questions

What is the IUPAC name of N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine?
The IUPAC name of N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine (CID 6426056) is N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine.
What is the SMILES notation for N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine?
The canonical SMILES for N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine is CCCCCCCCCCN(CCCCCCCCCC)Cc1cccc(C)c1.
What is the InChIKey of N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine?
The InChIKey is CBFQTDCWCFJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-4-6-8-10-12-14-16-18-23-29(26-28-22-20-21-27(3)25-28)24-19-17-15-13-11-9-7-5-2/h20-22,25H,4-19,23-24,26H2,1-3H3.
What are the key properties of N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine?
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine has a molecular weight of 401.72 g/mol, XLogP of 9.08, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine is sourced from PubChem (CID 6426056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).