9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine

C30H63N — CID 139249170

IUPAC9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
SMILESCC(C)CCC(CCCC(CN)CCCC(CCC(C)C)CCC(C)C)CCC(C)C
InChIInChI=1S/C30H63N/c1-24(2)15-19-28(20-16-25(3)4)11-9-13-30(23-31)14-10-12-29(21-17-26(5)6)22-18-27(7)8/h24-30H,9-23,31H2,1-8H3
InChIKeyJFXRXWPZZMANBT-UHFFFAOYSA-N
MW437.84 g/mol
LogP9.88
Rot. Bonds21

About 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine

9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine (PubChem CID 139249170) has the molecular formula C30H63N and a molecular weight of 437.84 g/mol. Its IUPAC name is 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine.

Molecular Properties

Compound Name9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
PubChem CID139249170
Molecular FormulaC30H63N
Molecular Weight437.84 g/mol
Exact Mass437.50
IUPAC Name9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
SMILESCC(C)CCC(CCCC(CN)CCCC(CCC(C)C)CCC(C)C)CCC(C)C
InChIInChI=1S/C30H63N/c1-24(2)15-19-28(20-16-25(3)4)11-9-13-30(23-31)14-10-12-29(21-17-26(5)6)22-18-27(7)8/h24-30H,9-23,31H2,1-8H3
InChIKeyJFXRXWPZZMANBT-UHFFFAOYSA-N
XLogP9.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol
CID 101391197
2-butylhexan-1-amine
CID 54041151
(5R)-2-methyl-5-propylnonane
CID 162842430
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
ethane;2-methyl-5-propylnonane
CID 171073854
2,8-dimethyl-5-propylnonane
CID 57014492
2-methyl-5-propyltridecane
CID 123255718
4-(aminomethyl)-2-hydroxy-8-methylnonanal
CID 126625118
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
(2S)-2-hexyldecan-1-amine
CID 129368307

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine?
The IUPAC name of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine (CID 139249170) is 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine.
What is the SMILES notation for 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine?
The canonical SMILES for 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine is CC(C)CCC(CCCC(CN)CCCC(CCC(C)C)CCC(C)C)CCC(C)C.
What is the InChIKey of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine?
The InChIKey is JFXRXWPZZMANBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N/c1-24(2)15-19-28(20-16-25(3)4)11-9-13-30(23-31)14-10-12-29(21-17-26(5)6)22-18-27(7)8/h24-30H,9-23,31H2,1-8H3.
What are the key properties of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine?
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine has a molecular weight of 437.84 g/mol, XLogP of 9.88, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine is sourced from PubChem (CID 139249170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).