4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol

C10H23NO — CID 62950618

IUPAC4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)11-9(7-12)6-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyFDLBDENDLLNAGA-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds4

About 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol

4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 62950618) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID62950618
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)11-9(7-12)6-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyFDLBDENDLLNAGA-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol (CID 62950618) is 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(CO)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is FDLBDENDLLNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)11-9(7-12)6-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol?
4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 62950618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).