N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine

C25H53N — CID 139722528

IUPACN-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
SMILESCCCCCCCCCN(CCCCCCCCC)C(C)(C)CCCC
InChIInChI=1S/C25H53N/c1-6-9-12-14-16-18-20-23-26(25(4,5)22-11-8-3)24-21-19-17-15-13-10-7-2/h6-24H2,1-5H3
InChIKeyWDQTWBCPXDBBHF-UHFFFAOYSA-N
MW367.71 g/mol
LogP8.76
Rot. Bonds20

About N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine

N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine (PubChem CID 139722528) has the molecular formula C25H53N and a molecular weight of 367.71 g/mol. Its IUPAC name is N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine.

Molecular Properties

Compound NameN-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
PubChem CID139722528
Molecular FormulaC25H53N
Molecular Weight367.71 g/mol
Exact Mass367.42
IUPAC NameN-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
SMILESCCCCCCCCCN(CCCCCCCCC)C(C)(C)CCCC
InChIInChI=1S/C25H53N/c1-6-9-12-14-16-18-20-23-26(25(4,5)22-11-8-3)24-21-19-17-15-13-10-7-2/h6-24H2,1-5H3
InChIKeyWDQTWBCPXDBBHF-UHFFFAOYSA-N
XLogP8.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 58.76
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,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634
N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
CID 139723218
2-methyl-N,N-dipentyldodecan-2-amine
CID 139723912
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
CID 139722947
N-(2-methylpentan-2-yl)-N-nonylnonan-1-amine
CID 139723287
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
CID 18184043
N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
CID 162197438

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine?
The IUPAC name of N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine (CID 139722528) is N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine.
What is the SMILES notation for N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine?
The canonical SMILES for N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine is CCCCCCCCCN(CCCCCCCCC)C(C)(C)CCCC.
What is the InChIKey of N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine?
The InChIKey is WDQTWBCPXDBBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N/c1-6-9-12-14-16-18-20-23-26(25(4,5)22-11-8-3)24-21-19-17-15-13-10-7-2/h6-24H2,1-5H3.
What are the key properties of N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine?
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine has a molecular weight of 367.71 g/mol, XLogP of 8.76, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine is sourced from PubChem (CID 139722528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).