(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine

C11H21N3 — CID 136651224

IUPAC(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine
SMILESCCCCC/N=C1\CCC(CN)=CN1
InChIInChI=1S/C11H21N3/c1-2-3-4-7-13-11-6-5-10(8-12)9-14-11/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyCITNNIRUXHOYKO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds5

About (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine

(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine (PubChem CID 136651224) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine
PubChem CID136651224
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine
SMILESCCCCC/N=C1\CCC(CN)=CN1
InChIInChI=1S/C11H21N3/c1-2-3-4-7-13-11-6-5-10(8-12)9-14-11/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyCITNNIRUXHOYKO-UHFFFAOYSA-N
XLogP1.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine?
The IUPAC name of (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine (CID 136651224) is (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine.
What is the SMILES notation for (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine?
The canonical SMILES for (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine is CCCCC/N=C1\CCC(CN)=CN1.
What is the InChIKey of (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine?
The InChIKey is CITNNIRUXHOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-4-7-13-11-6-5-10(8-12)9-14-11/h9H,2-8,12H2,1H3,(H,13,14).
What are the key properties of (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine?
(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine is sourced from PubChem (CID 136651224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).