ethane;N,2,4-trimethylpentan-1-amine

C10H25N — CID 142844862

IUPACethane;N,2,4-trimethylpentan-1-amine
SMILESCC.CNCC(C)CC(C)C
InChIInChI=1S/C8H19N.C2H6/c1-7(2)5-8(3)6-9-4;1-2/h7-9H,5-6H2,1-4H3;1-2H3
InChIKeyZVZMQNYDWNSJLO-UHFFFAOYSA-N
MW159.32 g/mol
LogP2.91
Rot. Bonds4

About ethane;N,2,4-trimethylpentan-1-amine

ethane;N,2,4-trimethylpentan-1-amine (PubChem CID 142844862) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is ethane;N,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound Nameethane;N,2,4-trimethylpentan-1-amine
PubChem CID142844862
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Nameethane;N,2,4-trimethylpentan-1-amine
SMILESCC.CNCC(C)CC(C)C
InChIInChI=1S/C8H19N.C2H6/c1-7(2)5-8(3)6-9-4;1-2/h7-9H,5-6H2,1-4H3;1-2H3
InChIKeyZVZMQNYDWNSJLO-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
N-(2,4-dimethylpentyl)hydroxylamine
CID 130481162
N,2-dimethyl-4-propylheptan-1-amine
CID 142144004
2-iodo-N,4-dimethylpentan-1-amine
CID 155421161
3,5-dimethyl-6-(methylamino)hexan-2-one
CID 169146775
2,4-dimethyl-N-methylsulfanylpentan-1-amine
CID 167247133
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
CID 83828619

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,4-trimethylpentan-1-amine?
The IUPAC name of ethane;N,2,4-trimethylpentan-1-amine (CID 142844862) is ethane;N,2,4-trimethylpentan-1-amine.
What is the SMILES notation for ethane;N,2,4-trimethylpentan-1-amine?
The canonical SMILES for ethane;N,2,4-trimethylpentan-1-amine is CC.CNCC(C)CC(C)C.
What is the InChIKey of ethane;N,2,4-trimethylpentan-1-amine?
The InChIKey is ZVZMQNYDWNSJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6/c1-7(2)5-8(3)6-9-4;1-2/h7-9H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;N,2,4-trimethylpentan-1-amine?
ethane;N,2,4-trimethylpentan-1-amine has a molecular weight of 159.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 142844862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).