3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol

C13H30N2O — CID 62623197

IUPAC3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCC(N)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)15(8-6-10-16)9-7-12(14)13(3,4)5/h11-12,16H,6-10,14H2,1-5H3
InChIKeyATNZYYMUIRANFY-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds7

About 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol

3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol (PubChem CID 62623197) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
PubChem CID62623197
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCC(N)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)15(8-6-10-16)9-7-12(14)13(3,4)5/h11-12,16H,6-10,14H2,1-5H3
InChIKeyATNZYYMUIRANFY-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol (CID 62623197) is 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)CCC(N)C(C)(C)C.
What is the InChIKey of 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is ATNZYYMUIRANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)15(8-6-10-16)9-7-12(14)13(3,4)5/h11-12,16H,6-10,14H2,1-5H3.
What are the key properties of 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol?
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62623197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).