1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine

C10H21N3 — CID 80559719

IUPAC1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
SMILESNC1CC(NCCN2CCCC2)C1
InChIInChI=1S/C10H21N3/c11-9-7-10(8-9)12-3-6-13-4-1-2-5-13/h9-10,12H,1-8,11H2
InChIKeyJSHMJTWXNOYKST-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.16
Rot. Bonds4

About 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine

1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine (PubChem CID 80559719) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
PubChem CID80559719
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
SMILESNC1CC(NCCN2CCCC2)C1
InChIInChI=1S/C10H21N3/c11-9-7-10(8-9)12-3-6-13-4-1-2-5-13/h9-10,12H,1-8,11H2
InChIKeyJSHMJTWXNOYKST-UHFFFAOYSA-N
XLogP0.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870840
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61240000
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine (CID 80559719) is 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine is NC1CC(NCCN2CCCC2)C1.
What is the InChIKey of 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine?
The InChIKey is JSHMJTWXNOYKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c11-9-7-10(8-9)12-3-6-13-4-1-2-5-13/h9-10,12H,1-8,11H2.
What are the key properties of 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine?
1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).