1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine

C10H21N3 — CID 80559526

IUPAC1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine
SMILESCN1CCC(NC2CC(N)C2)CC1
InChIInChI=1S/C10H21N3/c1-13-4-2-9(3-5-13)12-10-6-8(11)7-10/h8-10,12H,2-7,11H2,1H3
InChIKeyRRHQIVGONFWYQT-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.16
Rot. Bonds2

About 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine

1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine (PubChem CID 80559526) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine
PubChem CID80559526
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine
SMILESCN1CCC(NC2CC(N)C2)CC1
InChIInChI=1S/C10H21N3/c1-13-4-2-9(3-5-13)12-10-6-8(11)7-10/h8-10,12H,2-7,11H2,1H3
InChIKeyRRHQIVGONFWYQT-UHFFFAOYSA-N
XLogP0.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
8-methyl-N-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43373311
1-methyl-N-(3-propan-2-ylcyclobutyl)piperidin-4-amine
CID 103561039
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
ethane;1-methylpiperidin-4-amine
CID 123622295
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
1-N-(1-methylpiperidin-4-yl)piperidine-1,4-diamine
CID 145481101
1-N-cyclohexylcyclobutane-1,3-diamine
CID 80559420
1-methyl-N-piperidin-4-ylpiperidin-4-amine;trihydrochloride
CID 68591431
N-(3-methoxycyclobutyl)-1-methylpyrrolidin-3-amine
CID 104871437
3-N-(1-methylpiperidin-3-yl)cyclopentane-1,3-diamine
CID 79462882
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine (CID 80559526) is 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine is CN1CCC(NC2CC(N)C2)CC1.
What is the InChIKey of 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine?
The InChIKey is RRHQIVGONFWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-13-4-2-9(3-5-13)12-10-6-8(11)7-10/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine?
1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).