N,4-dimethylhexan-3-amine

C8H19N — CID 63559808

IUPACN,4-dimethylhexan-3-amine
SMILESCCC(C)C(CC)NC
InChIInChI=1S/C8H19N/c1-5-7(3)8(6-2)9-4/h7-9H,5-6H2,1-4H3
InChIKeyYEWGDTAMQNBZON-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds4

About N,4-dimethylhexan-3-amine

N,4-dimethylhexan-3-amine (PubChem CID 63559808) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N,4-dimethylhexan-3-amine.

Molecular Properties

Compound NameN,4-dimethylhexan-3-amine
PubChem CID63559808
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN,4-dimethylhexan-3-amine
SMILESCCC(C)C(CC)NC
InChIInChI=1S/C8H19N/c1-5-7(3)8(6-2)9-4/h7-9H,5-6H2,1-4H3
InChIKeyYEWGDTAMQNBZON-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4,8-trimethylnonan-3-amine
CID 83158813
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
N,4-dimethyl-1-methylsulfanylhexan-3-amine
CID 105170590
N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
CID 163446158
4-ethyl-N-methylhexan-3-amine
CID 79307570
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
CID 142059377
(3R)-N-tert-butyl-4-methylhexan-3-amine
CID 89089273
N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
CID 63561742
6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine
CID 79308478
1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82948133

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylhexan-3-amine?
The IUPAC name of N,4-dimethylhexan-3-amine (CID 63559808) is N,4-dimethylhexan-3-amine.
What is the SMILES notation for N,4-dimethylhexan-3-amine?
The canonical SMILES for N,4-dimethylhexan-3-amine is CCC(C)C(CC)NC.
What is the InChIKey of N,4-dimethylhexan-3-amine?
The InChIKey is YEWGDTAMQNBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-5-7(3)8(6-2)9-4/h7-9H,5-6H2,1-4H3.
What are the key properties of N,4-dimethylhexan-3-amine?
N,4-dimethylhexan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylhexan-3-amine is sourced from PubChem (CID 63559808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).