N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine

C15H25N3 — CID 114198995

IUPACN-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)CN(C)Cc1ncccc1CNC1CC1
InChIInChI=1S/C15H25N3/c1-12(2)10-18(3)11-15-13(5-4-8-16-15)9-17-14-6-7-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3
InChIKeyVKTHSHWUYOXHBH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.42
Rot. Bonds7

About N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine

N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 114198995) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID114198995
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)CN(C)Cc1ncccc1CNC1CC1
InChIInChI=1S/C15H25N3/c1-12(2)10-18(3)11-15-13(5-4-8-16-15)9-17-14-6-7-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3
InChIKeyVKTHSHWUYOXHBH-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine (CID 114198995) is N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine is CC(C)CN(C)Cc1ncccc1CNC1CC1.
What is the InChIKey of N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is VKTHSHWUYOXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)10-18(3)11-15-13(5-4-8-16-15)9-17-14-6-7-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3.
What are the key properties of N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 247.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114198995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).