2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol

C15H29NO3 — CID 167082215

IUPAC2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol
SMILESCC(C)NCC1(O)CC1C(C)(C)OCC1(CO)CC1
InChIInChI=1S/C15H29NO3/c1-11(2)16-8-15(18)7-12(15)13(3,4)19-10-14(9-17)5-6-14/h11-12,16-18H,5-10H2,1-4H3
InChIKeyDEZGTOZFVHUHDN-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.30
Rot. Bonds8

About 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol

2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol (PubChem CID 167082215) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol
PubChem CID167082215
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol
SMILESCC(C)NCC1(O)CC1C(C)(C)OCC1(CO)CC1
InChIInChI=1S/C15H29NO3/c1-11(2)16-8-15(18)7-12(15)13(3,4)19-10-14(9-17)5-6-14/h11-12,16-18H,5-10H2,1-4H3
InChIKeyDEZGTOZFVHUHDN-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol?
The IUPAC name of 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol (CID 167082215) is 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol.
What is the SMILES notation for 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol?
The canonical SMILES for 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol is CC(C)NCC1(O)CC1C(C)(C)OCC1(CO)CC1.
What is the InChIKey of 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol?
The InChIKey is DEZGTOZFVHUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)16-8-15(18)7-12(15)13(3,4)19-10-14(9-17)5-6-14/h11-12,16-18H,5-10H2,1-4H3.
What are the key properties of 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol?
2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]propan-2-yl]-1-[(propan-2-ylamino)methyl]cyclopropan-1-ol is sourced from PubChem (CID 167082215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).