N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine

C13H27N3 — CID 115244261

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CN(C)CC2(CN)CC2)C1
InChIInChI=1S/C13H27N3/c1-15-7-3-4-12(8-15)9-16(2)11-13(10-14)5-6-13/h12H,3-11,14H2,1-2H3
InChIKeyXPGKQMDDFJZSFQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.00
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine (PubChem CID 115244261) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
PubChem CID115244261
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CN(C)CC2(CN)CC2)C1
InChIInChI=1S/C13H27N3/c1-15-7-3-4-12(8-15)9-16(2)11-13(10-14)5-6-13/h12H,3-11,14H2,1-2H3
InChIKeyXPGKQMDDFJZSFQ-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 115453877
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
CID 116929365
1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 115453628
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115244956
N-methyl-1-(1-methylpiperidin-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120898710
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine (CID 115244261) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine is CN1CCCC(CN(C)CC2(CN)CC2)C1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The InChIKey is XPGKQMDDFJZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-7-3-4-12(8-15)9-16(2)11-13(10-14)5-6-13/h12H,3-11,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 115244261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).