3-amino-4-methyl-2-propoxypentan-1-ol

C9H21NO2 — CID 114358171

IUPAC3-amino-4-methyl-2-propoxypentan-1-ol
SMILESCCCOC(CO)C(N)C(C)C
InChIInChI=1S/C9H21NO2/c1-4-5-12-8(6-11)9(10)7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyYRFJWJXNLCPGSU-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.76
Rot. Bonds6

About 3-amino-4-methyl-2-propoxypentan-1-ol

3-amino-4-methyl-2-propoxypentan-1-ol (PubChem CID 114358171) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-amino-4-methyl-2-propoxypentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-propoxypentan-1-ol
PubChem CID114358171
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-amino-4-methyl-2-propoxypentan-1-ol
SMILESCCCOC(CO)C(N)C(C)C
InChIInChI=1S/C9H21NO2/c1-4-5-12-8(6-11)9(10)7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyYRFJWJXNLCPGSU-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-2-pentoxypentan-1-ol
CID 114358183
3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
CID 114358005
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
CID 114358105
3-amino-2-(2-hydroxyethoxy)butan-1-ol
CID 134265576
CID 89361910
CID 89361910
3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
CID 114358137
4-ethoxy-2-methylheptan-3-amine
CID 116717495
3-propoxyhexane-1,2-diol
CID 90013661
3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol
CID 114358012
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
CID 114358246
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
3-hydroxy-2-propoxypropanoic acid
CID 87915368

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-propoxypentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-propoxypentan-1-ol (CID 114358171) is 3-amino-4-methyl-2-propoxypentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-propoxypentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-propoxypentan-1-ol is CCCOC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-4-methyl-2-propoxypentan-1-ol?
The InChIKey is YRFJWJXNLCPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-5-12-8(6-11)9(10)7(2)3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 3-amino-4-methyl-2-propoxypentan-1-ol?
3-amino-4-methyl-2-propoxypentan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-propoxypentan-1-ol is sourced from PubChem (CID 114358171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).