1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide

C14H27N3O — CID 114133236

IUPAC1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCCN(CCNC(=O)C1(CN)CC(C)C1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-17(12-4-5-12)7-6-16-13(18)14(10-15)8-11(2)9-14/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyZNNBAVNAVBRXGL-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.96
Rot. Bonds7

About 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 114133236) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
PubChem CID114133236
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCCN(CCNC(=O)C1(CN)CC(C)C1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-17(12-4-5-12)7-6-16-13(18)14(10-15)8-11(2)9-14/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyZNNBAVNAVBRXGL-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
CID 80598794
1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 113229953
1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80587901
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
4-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 114133933
1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
CID 80598078
3-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbutanamide;dihydrochloride
CID 120503647
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80588679
1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114135899

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide (CID 114133236) is 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide is CCN(CCNC(=O)C1(CN)CC(C)C1)C1CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is ZNNBAVNAVBRXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17(12-4-5-12)7-6-16-13(18)14(10-15)8-11(2)9-14/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 114133236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).