ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine

C16H39N — CID 143592734

IUPACethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine
SMILESCC.CC.CCCC(CNC(C)C)C(C)CC
InChIInChI=1S/C12H27N.2C2H6/c1-6-8-12(11(5)7-2)9-13-10(3)4;2*1-2/h10-13H,6-9H2,1-5H3;2*1-2H3
InChIKeyUSMBCDYAFQTWLZ-UHFFFAOYSA-N
MW245.49 g/mol
LogP5.50
Rot. Bonds7

About ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine

ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine (PubChem CID 143592734) has the molecular formula C16H39N and a molecular weight of 245.49 g/mol. Its IUPAC name is ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine.

Molecular Properties

Compound Nameethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine
PubChem CID143592734
Molecular FormulaC16H39N
Molecular Weight245.49 g/mol
Exact Mass245.31
IUPAC Nameethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine
SMILESCC.CC.CCCC(CNC(C)C)C(C)CC
InChIInChI=1S/C12H27N.2C2H6/c1-6-8-12(11(5)7-2)9-13-10(3)4;2*1-2/h10-13H,6-9H2,1-5H3;2*1-2H3
InChIKeyUSMBCDYAFQTWLZ-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
3,4-diethylheptane;ethane
CID 144734225
4,5-diethyloctane
CID 519254
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
3,4,9-trimethyl-8-propylundecane
CID 90901381
(3-methyl-2-propylpentoxy)phosphane
CID 123507297
(4R)-3-ethyl-4-methylhexane
CID 59954491
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65232689
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine?
The IUPAC name of ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine (CID 143592734) is ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine.
What is the SMILES notation for ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine?
The canonical SMILES for ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine is CC.CC.CCCC(CNC(C)C)C(C)CC.
What is the InChIKey of ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine?
The InChIKey is USMBCDYAFQTWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.2C2H6/c1-6-8-12(11(5)7-2)9-13-10(3)4;2*1-2/h10-13H,6-9H2,1-5H3;2*1-2H3.
What are the key properties of ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine?
ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine has a molecular weight of 245.49 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-propan-2-yl-2-propylpentan-1-amine is sourced from PubChem (CID 143592734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).