N,N-bis(2-methylpropyl)octan-3-amine

C16H35N — CID 130409635

IUPACN,N-bis(2-methylpropyl)octan-3-amine
SMILESCCCCCC(CC)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H35N/c1-7-9-10-11-16(8-2)17(12-14(3)4)13-15(5)6/h14-16H,7-13H2,1-6H3
InChIKeyZIMKBYPQIOWAPQ-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.96
Rot. Bonds10

About N,N-bis(2-methylpropyl)octan-3-amine

N,N-bis(2-methylpropyl)octan-3-amine (PubChem CID 130409635) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)octan-3-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)octan-3-amine
PubChem CID130409635
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N-bis(2-methylpropyl)octan-3-amine
SMILESCCCCCC(CC)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H35N/c1-7-9-10-11-16(8-2)17(12-14(3)4)13-15(5)6/h14-16H,7-13H2,1-6H3
InChIKeyZIMKBYPQIOWAPQ-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.96
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-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
2-methylbutane;2-methyltridecane
CID 54106775
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)octan-3-amine?
The IUPAC name of N,N-bis(2-methylpropyl)octan-3-amine (CID 130409635) is N,N-bis(2-methylpropyl)octan-3-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)octan-3-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)octan-3-amine is CCCCCC(CC)N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)octan-3-amine?
The InChIKey is ZIMKBYPQIOWAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-9-10-11-16(8-2)17(12-14(3)4)13-15(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of N,N-bis(2-methylpropyl)octan-3-amine?
N,N-bis(2-methylpropyl)octan-3-amine has a molecular weight of 241.46 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)octan-3-amine is sourced from PubChem (CID 130409635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).