2-ethyl-4-propan-2-yloxybutan-1-amine

C9H21NO — CID 62505912

IUPAC2-ethyl-4-propan-2-yloxybutan-1-amine
SMILESCCC(CN)CCOC(C)C
InChIInChI=1S/C9H21NO/c1-4-9(7-10)5-6-11-8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyWWROQNYVMGMXHI-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 2-ethyl-4-propan-2-yloxybutan-1-amine

2-ethyl-4-propan-2-yloxybutan-1-amine (PubChem CID 62505912) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yloxybutan-1-amine
PubChem CID62505912
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-ethyl-4-propan-2-yloxybutan-1-amine
SMILESCCC(CN)CCOC(C)C
InChIInChI=1S/C9H21NO/c1-4-9(7-10)5-6-11-8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyWWROQNYVMGMXHI-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-propan-2-yloxybutan-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

2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79450702
2-ethylpropane-1,3-diamine
CID 14499053
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
3-(chloromethyl)-1-propan-2-yloxyhexane
CID 66035666
2-propan-2-yloxyethanamine
CID 533866
2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62530603
4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
CID 116596211
(2S)-2-ethylhexan-1-amine
CID 6999997
N-methyl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62528925
2-ethyl-5,6,6-trimethylheptan-1-amine
CID 130337390
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-ethyl-4-propan-2-yloxybutan-1-amine (CID 62505912) is 2-ethyl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-ethyl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-ethyl-4-propan-2-yloxybutan-1-amine is CCC(CN)CCOC(C)C.
What is the InChIKey of 2-ethyl-4-propan-2-yloxybutan-1-amine?
The InChIKey is WWROQNYVMGMXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(7-10)5-6-11-8(2)3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-yloxybutan-1-amine?
2-ethyl-4-propan-2-yloxybutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 62505912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).