3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol

C9H18N2O — CID 106638717

IUPAC3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
SMILESOC1CC(NCC2CCCN2)C1
InChIInChI=1S/C9H18N2O/c12-9-4-8(5-9)11-6-7-2-1-3-10-7/h7-12H,1-6H2
InChIKeyWOZMQBNFWVBLDT-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.15
Rot. Bonds3

About 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol

3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol (PubChem CID 106638717) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
PubChem CID106638717
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
SMILESOC1CC(NCC2CCCN2)C1
InChIInChI=1S/C9H18N2O/c12-9-4-8(5-9)11-6-7-2-1-3-10-7/h7-12H,1-6H2
InChIKeyWOZMQBNFWVBLDT-UHFFFAOYSA-N
XLogP-0.15
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
3-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106636915
3-[(pyrrolidin-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120820
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 79707508
N-methyl-1-pyrrolidin-2-ylmethanamine;molecular hydrogen
CID 153348528
4-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106638181
N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106633164
cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
CID 106637742
(3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol
CID 131114315
(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine
CID 144839728
N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 106634528

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol?
The IUPAC name of 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol (CID 106638717) is 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol?
The canonical SMILES for 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol is OC1CC(NCC2CCCN2)C1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol?
The InChIKey is WOZMQBNFWVBLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9-4-8(5-9)11-6-7-2-1-3-10-7/h7-12H,1-6H2.
What are the key properties of 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol?
3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol is sourced from PubChem (CID 106638717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).