3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol

C13H26N2O — CID 106616555

IUPAC3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
SMILESCC(O)C(C)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-10(11(2)16)15(8-12-5-6-12)9-13-4-3-7-14-13/h10-14,16H,3-9H2,1-2H3
InChIKeyGUNXKXNAECRCPE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds6

About 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol

3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol (PubChem CID 106616555) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
PubChem CID106616555
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
SMILESCC(O)C(C)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-10(11(2)16)15(8-12-5-6-12)9-13-4-3-7-14-13/h10-14,16H,3-9H2,1-2H3
InChIKeyGUNXKXNAECRCPE-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106604519
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol?
The IUPAC name of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol (CID 106616555) is 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol is CC(O)C(C)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol?
The InChIKey is GUNXKXNAECRCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(11(2)16)15(8-12-5-6-12)9-13-4-3-7-14-13/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol?
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 106616555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).