1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine

C12H26N4 — CID 170106320

IUPAC1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
SMILESCN1CCC(NCCNC2CC(N)C2)CC1
InChIInChI=1S/C12H26N4/c1-16-6-2-11(3-7-16)14-4-5-15-12-8-10(13)9-12/h10-12,14-15H,2-9,13H2,1H3
InChIKeyBODFGEOPUTVCAJ-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.25
Rot. Bonds5

About 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine

1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine (PubChem CID 170106320) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
PubChem CID170106320
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
SMILESCN1CCC(NCCNC2CC(N)C2)CC1
InChIInChI=1S/C12H26N4/c1-16-6-2-11(3-7-16)14-4-5-15-12-8-10(13)9-12/h10-12,14-15H,2-9,13H2,1H3
InChIKeyBODFGEOPUTVCAJ-UHFFFAOYSA-N
XLogP-0.25
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(1-methylpiperidin-4-yl)cyclobutane-1,3-diamine
CID 80559526
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
CID 80559719
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
2-[2-[(1-methylpiperidin-4-yl)amino]ethylamino]ethanol
CID 167265274
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine (CID 170106320) is 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine is CN1CCC(NCCNC2CC(N)C2)CC1.
What is the InChIKey of 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine?
The InChIKey is BODFGEOPUTVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-16-6-2-11(3-7-16)14-4-5-15-12-8-10(13)9-12/h10-12,14-15H,2-9,13H2,1H3.
What are the key properties of 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine?
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine has a molecular weight of 226.37 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 170106320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).