1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide

C14H28N4O — CID 80599155

IUPAC1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC2CN(C)CCN2C)C1
InChIInChI=1S/C14H28N4O/c1-11-6-14(7-11,10-15)13(19)16-8-12-9-17(2)4-5-18(12)3/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyWVHAGOJIBHBUSF-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.28
Rot. Bonds4

About 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80599155) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80599155
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC2CN(C)CCN2C)C1
InChIInChI=1S/C14H28N4O/c1-11-6-14(7-11,10-15)13(19)16-8-12-9-17(2)4-5-18(12)3/h11-12H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyWVHAGOJIBHBUSF-UHFFFAOYSA-N
XLogP-0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 83013697
1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 80588230
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77011298
[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086567
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea
CID 95249435

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide (CID 80599155) is 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCC2CN(C)CCN2C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is WVHAGOJIBHBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11-6-14(7-11,10-15)13(19)16-8-12-9-17(2)4-5-18(12)3/h11-12H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80599155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).