5-amino-2-tert-butylpentan-1-ol

C9H21NO — CID 59516739

IUPAC5-amino-2-tert-butylpentan-1-ol
SMILESCC(C)(C)C(CO)CCCN
InChIInChI=1S/C9H21NO/c1-9(2,3)8(7-11)5-4-6-10/h8,11H,4-7,10H2,1-3H3
InChIKeyNFMGCTHCCVENFS-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds4

About 5-amino-2-tert-butylpentan-1-ol

5-amino-2-tert-butylpentan-1-ol (PubChem CID 59516739) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-amino-2-tert-butylpentan-1-ol.

Molecular Properties

Compound Name5-amino-2-tert-butylpentan-1-ol
PubChem CID59516739
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-amino-2-tert-butylpentan-1-ol
SMILESCC(C)(C)C(CO)CCCN
InChIInChI=1S/C9H21NO/c1-9(2,3)8(7-11)5-4-6-10/h8,11H,4-7,10H2,1-3H3
InChIKeyNFMGCTHCCVENFS-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-tert-butylpentan-1-ol?
The IUPAC name of 5-amino-2-tert-butylpentan-1-ol (CID 59516739) is 5-amino-2-tert-butylpentan-1-ol.
What is the SMILES notation for 5-amino-2-tert-butylpentan-1-ol?
The canonical SMILES for 5-amino-2-tert-butylpentan-1-ol is CC(C)(C)C(CO)CCCN.
What is the InChIKey of 5-amino-2-tert-butylpentan-1-ol?
The InChIKey is NFMGCTHCCVENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)8(7-11)5-4-6-10/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 5-amino-2-tert-butylpentan-1-ol?
5-amino-2-tert-butylpentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-tert-butylpentan-1-ol is sourced from PubChem (CID 59516739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).