N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C17H27N3 — CID 103503016

IUPACN-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)C1CCN(c2ccnc(CNC3CC3)c2)CC1
InChIInChI=1S/C17H27N3/c1-13(2)14-6-9-20(10-7-14)17-5-8-18-16(11-17)12-19-15-3-4-15/h5,8,11,13-15,19H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyDZVCXMYYUSNMEN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.21
Rot. Bonds5

About N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 103503016) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID103503016
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)C1CCN(c2ccnc(CNC3CC3)c2)CC1
InChIInChI=1S/C17H27N3/c1-13(2)14-6-9-20(10-7-14)17-5-8-18-16(11-17)12-19-15-3-4-15/h5,8,11,13-15,19H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyDZVCXMYYUSNMEN-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62281766
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228
N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284581
N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114460779
1-[4-(4-ethylpiperidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62288899
N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62281231
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
2-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 62288523
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 62293189

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 103503016) is N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CC(C)C1CCN(c2ccnc(CNC3CC3)c2)CC1.
What is the InChIKey of N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DZVCXMYYUSNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)14-6-9-20(10-7-14)17-5-8-18-16(11-17)12-19-15-3-4-15/h5,8,11,13-15,19H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103503016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).