1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

C15H29NO3 — CID 60713380

IUPAC1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNC(C1CC1)C1CC1
InChIInChI=1S/C15H29NO3/c1-11(2)19-8-7-18-10-14(17)9-16-15(12-3-4-12)13-5-6-13/h11-17H,3-10H2,1-2H3
InChIKeyRUKBBYVGCRDEJB-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.57
Rot. Bonds11

About 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 60713380) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID60713380
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNC(C1CC1)C1CC1
InChIInChI=1S/C15H29NO3/c1-11(2)19-8-7-18-10-14(17)9-16-15(12-3-4-12)13-5-6-13/h11-17H,3-10H2,1-2H3
InChIKeyRUKBBYVGCRDEJB-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 60713380) is 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is RUKBBYVGCRDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)19-8-7-18-10-14(17)9-16-15(12-3-4-12)13-5-6-13/h11-17H,3-10H2,1-2H3.
What are the key properties of 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 60713380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).