3-methyl-1-propoxypentan-2-amine

C9H21NO — CID 79446501

IUPAC3-methyl-1-propoxypentan-2-amine
SMILESCCCOCC(N)C(C)CC
InChIInChI=1S/C9H21NO/c1-4-6-11-7-9(10)8(3)5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyOZPDXVBGOXFJNS-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 3-methyl-1-propoxypentan-2-amine

3-methyl-1-propoxypentan-2-amine (PubChem CID 79446501) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methyl-1-propoxypentan-2-amine.

Molecular Properties

Compound Name3-methyl-1-propoxypentan-2-amine
PubChem CID79446501
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methyl-1-propoxypentan-2-amine
SMILESCCCOCC(N)C(C)CC
InChIInChI=1S/C9H21NO/c1-4-6-11-7-9(10)8(3)5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyOZPDXVBGOXFJNS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-propoxyhexan-2-amine
CID 105008414
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
3-methoxy-1-propoxyhexan-2-amine
CID 116718707
1-ethoxy-3-methylhexan-2-amine
CID 105007979
2,3,4-trimethyl-1-propoxypentane
CID 121286105
(2R)-1-[2-[2-[(2R)-2-amino-3-methylbutoxy]ethoxy]ethoxy]-3-methylbutan-2-amine
CID 101253534
1-methoxy-3-methylhexan-2-amine
CID 105008836
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
propyl 2-methyl-3-propoxypropanoate
CID 54511577

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propoxypentan-2-amine?
The IUPAC name of 3-methyl-1-propoxypentan-2-amine (CID 79446501) is 3-methyl-1-propoxypentan-2-amine.
What is the SMILES notation for 3-methyl-1-propoxypentan-2-amine?
The canonical SMILES for 3-methyl-1-propoxypentan-2-amine is CCCOCC(N)C(C)CC.
What is the InChIKey of 3-methyl-1-propoxypentan-2-amine?
The InChIKey is OZPDXVBGOXFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-11-7-9(10)8(3)5-2/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-methyl-1-propoxypentan-2-amine?
3-methyl-1-propoxypentan-2-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 3-methyl-1-propoxypentan-2-amine is sourced from PubChem (CID 79446501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).