3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol

C12H26N2O — CID 64825469

IUPAC3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(C)CC1CC1
InChIInChI=1S/C12H26N2O/c1-4-7-13-12(2,10-15)9-14(3)8-11-5-6-11/h11,13,15H,4-10H2,1-3H3
InChIKeyPGZIDRXTOJENGX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds8

About 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol

3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 64825469) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
PubChem CID64825469
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(C)CC1CC1
InChIInChI=1S/C12H26N2O/c1-4-7-13-12(2,10-15)9-14(3)8-11-5-6-11/h11,13,15H,4-10H2,1-3H3
InChIKeyPGZIDRXTOJENGX-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826426
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
4-[cyclopentylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64787817
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826914
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol (CID 64825469) is 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN(C)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is PGZIDRXTOJENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-13-12(2,10-15)9-14(3)8-11-5-6-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64825469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).