N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine

C12H25N3 — CID 115244179

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCC2(CN)CC2)CC1
InChIInChI=1S/C12H25N3/c1-15-6-2-11(3-7-15)8-14-10-12(9-13)4-5-12/h11,14H,2-10,13H2,1H3
InChIKeyBQERAISXAXMISG-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.66
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 115244179) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID115244179
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCC2(CN)CC2)CC1
InChIInChI=1S/C12H25N3/c1-15-6-2-11(3-7-15)8-14-10-12(9-13)4-5-12/h11,14H,2-10,13H2,1H3
InChIKeyBQERAISXAXMISG-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65495407
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115244469
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 115453628
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
[1-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 113293535

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine (CID 115244179) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCC2(CN)CC2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is BQERAISXAXMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-15-6-2-11(3-7-15)8-14-10-12(9-13)4-5-12/h11,14H,2-10,13H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 115244179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).