2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol

C14H29NO — CID 81419163

IUPAC2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC1CC1)NCC(CC)(CC)CO
InChIInChI=1S/C14H29NO/c1-4-13(9-12-7-8-12)15-10-14(5-2,6-3)11-16/h12-13,15-16H,4-11H2,1-3H3
InChIKeyZWRLEAIYVQOXSZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds9

About 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol

2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 81419163) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol
PubChem CID81419163
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC1CC1)NCC(CC)(CC)CO
InChIInChI=1S/C14H29NO/c1-4-13(9-12-7-8-12)15-10-14(5-2,6-3)11-16/h12-13,15-16H,4-11H2,1-3H3
InChIKeyZWRLEAIYVQOXSZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol (CID 81419163) is 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol is CCC(CC1CC1)NCC(CC)(CC)CO.
What is the InChIKey of 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is ZWRLEAIYVQOXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-13(9-12-7-8-12)15-10-14(5-2,6-3)11-16/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol?
2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81419163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).