N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine

C41H85N — CID 175624812

IUPACN,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine
SMILESCCCCCCCCC(C)CCCCCCC(C)CC(CN(C)C)C(C)CCCCCCC(C)CCCCCCCC
InChIInChI=1S/C41H85N/c1-9-11-13-15-17-23-29-37(3)31-25-19-20-27-33-39(5)35-41(36-42(7)8)40(6)34-28-22-21-26-32-38(4)30-24-18-16-14-12-10-2/h37-41H,9-36H2,1-8H3
InChIKeyPRKFHZIPGGQPGH-UHFFFAOYSA-N
MW592.14 g/mol
LogP14.28
Rot. Bonds33

About N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine

N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine (PubChem CID 175624812) has the molecular formula C41H85N and a molecular weight of 592.14 g/mol. Its IUPAC name is N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine.

Molecular Properties

Compound NameN,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine
PubChem CID175624812
Molecular FormulaC41H85N
Molecular Weight592.14 g/mol
Exact Mass591.67
IUPAC NameN,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine
SMILESCCCCCCCCC(C)CCCCCCC(C)CC(CN(C)C)C(C)CCCCCCC(C)CCCCCCCC
InChIInChI=1S/C41H85N/c1-9-11-13-15-17-23-29-37(3)31-25-19-20-27-33-39(5)35-41(36-42(7)8)40(6)34-28-22-21-26-32-38(4)30-24-18-16-14-12-10-2/h37-41H,9-36H2,1-8H3
InChIKeyPRKFHZIPGGQPGH-UHFFFAOYSA-N
XLogP14.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.14
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,2-trimethyltridecan-1-amine
CID 90750057
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
6,8-dimethylhexadecane
CID 91185725
11-butyl-4,12-dimethylhexacosane
CID 153276658
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
6-methyloctacosane
CID 22223942
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795

Frequently Asked Questions

What is the IUPAC name of N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine?
The IUPAC name of N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine (CID 175624812) is N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine.
What is the SMILES notation for N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine?
The canonical SMILES for N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine is CCCCCCCCC(C)CCCCCCC(C)CC(CN(C)C)C(C)CCCCCCC(C)CCCCCCCC.
What is the InChIKey of N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine?
The InChIKey is PRKFHZIPGGQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H85N/c1-9-11-13-15-17-23-29-37(3)31-25-19-20-27-33-39(5)35-41(36-42(7)8)40(6)34-28-22-21-26-32-38(4)30-24-18-16-14-12-10-2/h37-41H,9-36H2,1-8H3.
What are the key properties of N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine?
N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine has a molecular weight of 592.14 g/mol, XLogP of 14.28, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,11-tetramethyl-2-(9-methylheptadecan-2-yl)nonadecan-1-amine is sourced from PubChem (CID 175624812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).