1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol

C14H28N2O — CID 106616406

IUPAC1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C14H28N2O/c1-3-14(2,17)11-16(9-12-6-7-12)10-13-5-4-8-15-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyGXPGPJAMLOVGCS-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds7

About 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol

1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol (PubChem CID 106616406) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol
PubChem CID106616406
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C14H28N2O/c1-3-14(2,17)11-16(9-12-6-7-12)10-13-5-4-8-15-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyGXPGPJAMLOVGCS-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106616433
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616429
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 106616449
methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate
CID 106616317

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol (CID 106616406) is 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol is CCC(C)(O)CN(CC1CC1)CC1CCCN1.
What is the InChIKey of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol?
The InChIKey is GXPGPJAMLOVGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(2,17)11-16(9-12-6-7-12)10-13-5-4-8-15-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol?
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 106616406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).