N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C13H24N4 — CID 176516725

IUPACN-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILES[H]/N=C1\CCCCC(CCNC2=NCCCC2)N1
InChIInChI=1S/C13H24N4/c14-12-6-2-1-5-11(17-12)8-10-16-13-7-3-4-9-15-13/h11H,1-10H2,(H2,14,17)(H,15,16)
InChIKeyKGIQBMXZCZIYCS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds3

About N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 176516725) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID176516725
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILES[H]/N=C1\CCCCC(CCNC2=NCCCC2)N1
InChIInChI=1S/C13H24N4/c14-12-6-2-1-5-11(17-12)8-10-16-13-7-3-4-9-15-13/h11H,1-10H2,(H2,14,17)(H,15,16)
InChIKeyKGIQBMXZCZIYCS-UHFFFAOYSA-N
XLogP2.06
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369259
5-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]pyrrolidin-2-one
CID 79504176
N-(2-chloroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 71308035
2-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]cyclohexan-1-ol
CID 79503623
N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508863
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79507617
N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507708
N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79507725
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 135291577
N-cyclohexyl-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428450
5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
CID 107317400

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 176516725) is N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is [H]/N=C1\CCCCC(CCNC2=NCCCC2)N1.
What is the InChIKey of N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is KGIQBMXZCZIYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c14-12-6-2-1-5-11(17-12)8-10-16-13-7-3-4-9-15-13/h11H,1-10H2,(H2,14,17)(H,15,16).
What are the key properties of N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 236.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-iminoazepan-2-yl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 176516725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).