1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol

C14H29NO2 — CID 60634538

IUPAC1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol
SMILESCC(C)CCC(C)NCC(O)COCC1CC1
InChIInChI=1S/C14H29NO2/c1-11(2)4-5-12(3)15-8-14(16)10-17-9-13-6-7-13/h11-16H,4-10H2,1-3H3
InChIKeyYIIAGXFPGSZVKZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.19
Rot. Bonds10

About 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol (PubChem CID 60634538) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol
PubChem CID60634538
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol
SMILESCC(C)CCC(C)NCC(O)COCC1CC1
InChIInChI=1S/C14H29NO2/c1-11(2)4-5-12(3)15-8-14(16)10-17-9-13-6-7-13/h11-16H,4-10H2,1-3H3
InChIKeyYIIAGXFPGSZVKZ-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol (CID 60634538) is 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol is CC(C)CCC(C)NCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol?
The InChIKey is YIIAGXFPGSZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)4-5-12(3)15-8-14(16)10-17-9-13-6-7-13/h11-16H,4-10H2,1-3H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(5-methylhexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60634538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).