N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine

C16H28N2O — CID 63490010

IUPACN-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCCCCCOc1ncccc1CNCCC
InChIInChI=1S/C16H28N2O/c1-3-5-6-7-8-13-19-16-15(10-9-12-18-16)14-17-11-4-2/h9-10,12,17H,3-8,11,13-14H2,1-2H3
InChIKeyJCAVVXQOCCDKRG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.93
Rot. Bonds11

About N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine

N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 63490010) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID63490010
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCCCCCOc1ncccc1CNCCC
InChIInChI=1S/C16H28N2O/c1-3-5-6-7-8-13-19-16-15(10-9-12-18-16)14-17-11-4-2/h9-10,12,17H,3-8,11,13-14H2,1-2H3
InChIKeyJCAVVXQOCCDKRG-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 106205338
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
2,3-didecoxypyridine
CID 151922374
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948

Frequently Asked Questions

What is the IUPAC name of N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine (CID 63490010) is N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine is CCCCCCCOc1ncccc1CNCCC.
What is the InChIKey of N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is JCAVVXQOCCDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-6-7-8-13-19-16-15(10-9-12-18-16)14-17-11-4-2/h9-10,12,17H,3-8,11,13-14H2,1-2H3.
What are the key properties of N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63490010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).