N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine

C17H29N3 — CID 81247994

IUPACN-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCCC1CCCN(c2ccncc2CNCC)CC1
InChIInChI=1S/C17H29N3/c1-3-6-15-7-5-11-20(12-9-15)17-8-10-19-14-16(17)13-18-4-2/h8,10,14-15,18H,3-7,9,11-13H2,1-2H3
InChIKeyQTFKUJODTNGMSL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds6

About N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81247994) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81247994
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCCC1CCCN(c2ccncc2CNCC)CC1
InChIInChI=1S/C17H29N3/c1-3-6-15-7-5-11-20(12-9-15)17-8-10-19-14-16(17)13-18-4-2/h8,10,14-15,18H,3-7,9,11-13H2,1-2H3
InChIKeyQTFKUJODTNGMSL-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine (CID 81247994) is N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine is CCCC1CCCN(c2ccncc2CNCC)CC1.
What is the InChIKey of N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is QTFKUJODTNGMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-6-15-7-5-11-20(12-9-15)17-8-10-19-14-16(17)13-18-4-2/h8,10,14-15,18H,3-7,9,11-13H2,1-2H3.
What are the key properties of N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81247994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).