3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine

C11H28N2O — CID 22649806

IUPAC3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)N.NCCCO
InChIInChI=1S/C8H19N.C3H9NO/c1-7(2,3)6-8(4,5)9;4-2-1-3-5/h6,9H2,1-5H3;5H,1-4H2
InChIKeyPRUFDDWFUBNNRW-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.49
Rot. Bonds3

About 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine

3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine (PubChem CID 22649806) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine
PubChem CID22649806
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Name3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)N.NCCCO
InChIInChI=1S/C8H19N.C3H9NO/c1-7(2,3)6-8(4,5)9;4-2-1-3-5/h6,9H2,1-5H3;5H,1-4H2
InChIKeyPRUFDDWFUBNNRW-UHFFFAOYSA-N
XLogP1.49
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228
3-aminopropan-1-ol;ethane
CID 91172061
3-aminopropan-1-ol;2,2-dimethylpropanoic acid
CID 88610615
sodium;3-aminopropan-1-ol;hydride
CID 173357693
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
CID 174295610
propane-1,3-diamine;propane-2,2-diamine
CID 159356345
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
5-amino-5-methylhexan-1-ol;hydrochloride
CID 172915971
3,3-diamino-5,5-dimethylhexan-1-ol
CID 140837864
36-aminohexatriacontan-1-ol
CID 87686190
4,4-dimethylpentan-1-amine
CID 14454757
3-aminopropan-1-ol;ethenol
CID 87392158

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine?
The IUPAC name of 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine (CID 22649806) is 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine?
The canonical SMILES for 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)N.NCCCO.
What is the InChIKey of 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine?
The InChIKey is PRUFDDWFUBNNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H9NO/c1-7(2,3)6-8(4,5)9;4-2-1-3-5/h6,9H2,1-5H3;5H,1-4H2.
What are the key properties of 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine?
3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine has a molecular weight of 204.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 22649806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).