3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol

C14H30N2O — CID 64791568

IUPAC3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCCCN(C)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-6-9-16(4)10-14(11-17,13-7-8-13)15-12(2)3/h12-13,15,17H,5-11H2,1-4H3
InChIKeyUGHNJSRSEGTTEB-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds9

About 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol

3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64791568) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64791568
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCCCN(C)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C14H30N2O/c1-5-6-9-16(4)10-14(11-17,13-7-8-13)15-12(2)3/h12-13,15,17H,5-11H2,1-4H3
InChIKeyUGHNJSRSEGTTEB-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 64791623
2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 81063258
2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826657
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64791229
2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64790469
2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
CID 64796552
2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
CID 64825369
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol (CID 64791568) is 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol is CCCCN(C)CC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is UGHNJSRSEGTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-9-16(4)10-14(11-17,13-7-8-13)15-12(2)3/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 242.41 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 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64791568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).