2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol

C15H30N2O — CID 64791229

IUPAC2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCN(CC1CC1)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-17(9-13-5-6-13)10-15(11-18,14-7-8-14)16-12(2)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyYCCJHGUVFQEPLY-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds9

About 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64791229) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64791229
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCN(CC1CC1)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-17(9-13-5-6-13)10-15(11-18,14-7-8-14)16-12(2)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyYCCJHGUVFQEPLY-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64791568
2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826657
2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 64791623
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471
2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632
1-[cyclopropylmethyl(ethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336221
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 81063258

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64791229) is 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol is CCN(CC1CC1)CC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is YCCJHGUVFQEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-17(9-13-5-6-13)10-15(11-18,14-7-8-14)16-12(2)3/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64791229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).