N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine

C17H30N4 — CID 62776416

IUPACN-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H30N4/c1-4-7-18-13-16-6-5-8-19-17(16)21-11-9-20(10-12-21)14-15(2)3/h5-6,8,15,18H,4,7,9-14H2,1-3H3
InChIKeyGFZRNQOBUQFZFZ-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.36
Rot. Bonds7

About N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine

N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62776416) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID62776416
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C17H30N4/c1-4-7-18-13-16-6-5-8-19-17(16)21-11-9-20(10-12-21)14-15(2)3/h5-6,8,15,18H,4,7,9-14H2,1-3H3
InChIKeyGFZRNQOBUQFZFZ-UHFFFAOYSA-N
XLogP2.36
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine (CID 62776416) is N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1N1CCN(CC(C)C)CC1.
What is the InChIKey of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is GFZRNQOBUQFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-7-18-13-16-6-5-8-19-17(16)21-11-9-20(10-12-21)14-15(2)3/h5-6,8,15,18H,4,7,9-14H2,1-3H3.
What are the key properties of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine?
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62776416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).