1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine

C12H22N2 — CID 80562396

IUPAC1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine
SMILESNC1CC(NCC(C2CC2)C2CC2)C1
InChIInChI=1S/C12H22N2/c13-10-5-11(6-10)14-7-12(8-1-2-8)9-3-4-9/h8-12,14H,1-7,13H2
InChIKeyJJBIOTCRRRJQHX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.50
Rot. Bonds5

About 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine

1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine (PubChem CID 80562396) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine
PubChem CID80562396
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine
SMILESNC1CC(NCC(C2CC2)C2CC2)C1
InChIInChI=1S/C12H22N2/c13-10-5-11(6-10)14-7-12(8-1-2-8)9-3-4-9/h8-12,14H,1-7,13H2
InChIKeyJJBIOTCRRRJQHX-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile
CID 80562417
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
CID 80559737
1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine
CID 80559919
1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine
CID 80559918
N-(2,2-dicyclopropylethyl)propan-1-amine
CID 19374902
4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine
CID 66238347
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465
1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
CID 80559719
3-[(3-aminocyclohexyl)amino]propane-1,2-diol
CID 79458034
[1-cyclopropyl-2-(sulfamoylamino)ethyl]cyclopropane
CID 112695021
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine (CID 80562396) is 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine is NC1CC(NCC(C2CC2)C2CC2)C1.
What is the InChIKey of 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine?
The InChIKey is JJBIOTCRRRJQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-10-5-11(6-10)14-7-12(8-1-2-8)9-3-4-9/h8-12,14H,1-7,13H2.
What are the key properties of 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine?
1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80562396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).