1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

C15H31NO2 — CID 54940846

IUPAC1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC(C)(C)CC(C)(C)NCC(O)COCC1CC1
InChIInChI=1S/C15H31NO2/c1-14(2,3)11-15(4,5)16-8-13(17)10-18-9-12-6-7-12/h12-13,16-17H,6-11H2,1-5H3
InChIKeyLHQLTXWVUCYYMQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (PubChem CID 54940846) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
PubChem CID54940846
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC(C)(C)CC(C)(C)NCC(O)COCC1CC1
InChIInChI=1S/C15H31NO2/c1-14(2,3)11-15(4,5)16-8-13(17)10-18-9-12-6-7-12/h12-13,16-17H,6-11H2,1-5H3
InChIKeyLHQLTXWVUCYYMQ-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (CID 54940846) is 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is CC(C)(C)CC(C)(C)NCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The InChIKey is LHQLTXWVUCYYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2,3)11-15(4,5)16-8-13(17)10-18-9-12-6-7-12/h12-13,16-17H,6-11H2,1-5H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 54940846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).