N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine

C15H31N3 — CID 115244469

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
SMILESCN1CCCC(C(C)(C)CNCC2(CN)CC2)C1
InChIInChI=1S/C15H31N3/c1-14(2,13-5-4-8-18(3)9-13)11-17-12-15(10-16)6-7-15/h13,17H,4-12,16H2,1-3H3
InChIKeyBNUJRBJYJJXVPI-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.68
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine (PubChem CID 115244469) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
PubChem CID115244469
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
SMILESCN1CCCC(C(C)(C)CNCC2(CN)CC2)C1
InChIInChI=1S/C15H31N3/c1-14(2,13-5-4-8-18(3)9-13)11-17-12-15(10-16)6-7-15/h13,17H,4-12,16H2,1-3H3
InChIKeyBNUJRBJYJJXVPI-UHFFFAOYSA-N
XLogP1.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
CID 115249172
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115244179
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116866531
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
(E)-4-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]but-2-enoic acid
CID 115237429
[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
CID 116929365
2-methyl-2-(1-methylpiperidin-3-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238229

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine (CID 115244469) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine is CN1CCCC(C(C)(C)CNCC2(CN)CC2)C1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
The InChIKey is BNUJRBJYJJXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2,13-5-4-8-18(3)9-13)11-17-12-15(10-16)6-7-15/h13,17H,4-12,16H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.68, 6 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]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 115244469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).