2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine

C40H75N — CID 139723830

IUPAC2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)(C)N(CCc1ccccc1)C(C)(C)CCCCCCCCCCCCC
InChIInChI=1S/C40H75N/c1-7-9-11-13-15-17-19-21-23-25-30-35-39(3,4)41(37-34-38-32-28-27-29-33-38)40(5,6)36-31-26-24-22-20-18-16-14-12-10-8-2/h27-29,32-33H,7-26,30-31,34-37H2,1-6H3
InChIKeyQNNFMMVIAGCQPC-UHFFFAOYSA-N
MW570.05 g/mol
LogP13.49
Rot. Bonds29

About 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine

2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine (PubChem CID 139723830) has the molecular formula C40H75N and a molecular weight of 570.05 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine
PubChem CID139723830
Molecular FormulaC40H75N
Molecular Weight570.05 g/mol
Exact Mass569.59
IUPAC Name2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)(C)N(CCc1ccccc1)C(C)(C)CCCCCCCCCCCCC
InChIInChI=1S/C40H75N/c1-7-9-11-13-15-17-19-21-23-25-30-35-39(3,4)41(37-34-38-32-28-27-29-33-38)40(5,6)36-31-26-24-22-20-18-16-14-12-10-8-2/h27-29,32-33H,7-26,30-31,34-37H2,1-6H3
InChIKeyQNNFMMVIAGCQPC-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.05
LogP ≤ 513.49
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

2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine
CID 139722899
3,3-dimethyltetradecylbenzene
CID 141108755
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine (CID 139723830) is 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine is CCCCCCCCCCCCCC(C)(C)N(CCc1ccccc1)C(C)(C)CCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine?
The InChIKey is QNNFMMVIAGCQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H75N/c1-7-9-11-13-15-17-19-21-23-25-30-35-39(3,4)41(37-34-38-32-28-27-29-33-38)40(5,6)36-31-26-24-22-20-18-16-14-12-10-8-2/h27-29,32-33H,7-26,30-31,34-37H2,1-6H3.
What are the key properties of 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine?
2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine has a molecular weight of 570.05 g/mol, XLogP of 13.49, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine is sourced from PubChem (CID 139723830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).