2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol

C14H31N3O — CID 64791623

IUPAC2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN(C)CCN(C)C)C1CC1
InChIInChI=1S/C14H31N3O/c1-12(2)15-14(11-18,13-6-7-13)10-17(5)9-8-16(3)4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyZRYIKQMHTMUFDS-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.62
Rot. Bonds9

About 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64791623) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64791623
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN(C)CCN(C)C)C1CC1
InChIInChI=1S/C14H31N3O/c1-12(2)15-14(11-18,13-6-7-13)10-17(5)9-8-16(3)4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyZRYIKQMHTMUFDS-UHFFFAOYSA-N
XLogP0.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64791568
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-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-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
CID 64789926
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propan-1-ol
CID 64796545
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol (CID 64791623) is 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CN(C)CCN(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is ZRYIKQMHTMUFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(2)15-14(11-18,13-6-7-13)10-17(5)9-8-16(3)4/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64791623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).