N,5-dimethylhexan-1-amine;ethane

C10H25N — CID 142540507

IUPACN,5-dimethylhexan-1-amine;ethane
SMILESCC.CNCCCCC(C)C
InChIInChI=1S/C8H19N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyMOSWKNREXHGOFR-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.06
Rot. Bonds5

About N,5-dimethylhexan-1-amine;ethane

N,5-dimethylhexan-1-amine;ethane (PubChem CID 142540507) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is N,5-dimethylhexan-1-amine;ethane.

Molecular Properties

Compound NameN,5-dimethylhexan-1-amine;ethane
PubChem CID142540507
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC NameN,5-dimethylhexan-1-amine;ethane
SMILESCC.CNCCCCC(C)C
InChIInChI=1S/C8H19N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyMOSWKNREXHGOFR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,6-dimethylheptan-1-amine;ethane
CID 169159475
(5R)-N,5,6,8-tetramethylnonan-1-amine
CID 174103380
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N,5-dimethyloctan-1-amine;ethane;molecular hydrogen
CID 142588186
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhexan-1-amine;ethane?
The IUPAC name of N,5-dimethylhexan-1-amine;ethane (CID 142540507) is N,5-dimethylhexan-1-amine;ethane.
What is the SMILES notation for N,5-dimethylhexan-1-amine;ethane?
The canonical SMILES for N,5-dimethylhexan-1-amine;ethane is CC.CNCCCCC(C)C.
What is the InChIKey of N,5-dimethylhexan-1-amine;ethane?
The InChIKey is MOSWKNREXHGOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of N,5-dimethylhexan-1-amine;ethane?
N,5-dimethylhexan-1-amine;ethane has a molecular weight of 159.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhexan-1-amine;ethane is sourced from PubChem (CID 142540507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).