1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol

C10H21NO — CID 89079021

IUPAC1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol
SMILESC=C(NCC(C)O)C(C)(C)CC
InChIInChI=1S/C10H21NO/c1-6-10(4,5)9(3)11-7-8(2)12/h8,11-12H,3,6-7H2,1-2,4-5H3
InChIKeyZSHRJVVWRWYSKU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.91
Rot. Bonds5

About 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol

1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol (PubChem CID 89079021) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol
PubChem CID89079021
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol
SMILESC=C(NCC(C)O)C(C)(C)CC
InChIInChI=1S/C10H21NO/c1-6-10(4,5)9(3)11-7-8(2)12/h8,11-12H,3,6-7H2,1-2,4-5H3
InChIKeyZSHRJVVWRWYSKU-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol (CID 89079021) is 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol is C=C(NCC(C)O)C(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol?
The InChIKey is ZSHRJVVWRWYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(4,5)9(3)11-7-8(2)12/h8,11-12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol?
1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-1-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 89079021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).