3-(4-methylpentan-2-yloxy)butan-1-amine

C10H23NO — CID 114995279

IUPAC3-(4-methylpentan-2-yloxy)butan-1-amine
SMILESCC(C)CC(C)OC(C)CCN
InChIInChI=1S/C10H23NO/c1-8(2)7-10(4)12-9(3)5-6-11/h8-10H,5-7,11H2,1-4H3
InChIKeyMPGAMOWWDHLFTP-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.17
Rot. Bonds6

About 3-(4-methylpentan-2-yloxy)butan-1-amine

3-(4-methylpentan-2-yloxy)butan-1-amine (PubChem CID 114995279) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)butan-1-amine.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)butan-1-amine
PubChem CID114995279
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(4-methylpentan-2-yloxy)butan-1-amine
SMILESCC(C)CC(C)OC(C)CCN
InChIInChI=1S/C10H23NO/c1-8(2)7-10(4)12-9(3)5-6-11/h8-10H,5-7,11H2,1-4H3
InChIKeyMPGAMOWWDHLFTP-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
bis(4-aminobutan-2-yloxy)-oxophosphanium
CID 88803000
4-(4-aminopentan-2-yloxy)pentan-2-amine
CID 22012872
ethane;3-methoxy-5-methylhexan-1-amine
CID 178106787
3,5,7-trimethyloctan-1-amine
CID 89355702
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine
CID 165466400
3-(3-aminopropoxy)butan-1-amine
CID 165053672
2,3-bis(4-methylpentan-2-yloxy)butanedioic acid
CID 18506290
2-methyl-8-(8-methylnonan-2-yloxy)nonane
CID 175712820
4-methyl-3-(4-methylpentan-2-yloxy)-1-propan-2-yloxypentane
CID 123262229
dihydroxy(oxo)phosphanium;3-methylbutan-1-amine
CID 22056543

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)butan-1-amine?
The IUPAC name of 3-(4-methylpentan-2-yloxy)butan-1-amine (CID 114995279) is 3-(4-methylpentan-2-yloxy)butan-1-amine.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)butan-1-amine?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)butan-1-amine is CC(C)CC(C)OC(C)CCN.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)butan-1-amine?
The InChIKey is MPGAMOWWDHLFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)7-10(4)12-9(3)5-6-11/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 3-(4-methylpentan-2-yloxy)butan-1-amine?
3-(4-methylpentan-2-yloxy)butan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)butan-1-amine is sourced from PubChem (CID 114995279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).