N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

C9H16N4 — CID 114694366

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=C(CNC2=NCCN2)CCNC1
InChIInChI=1S/C9H16N4/c1-3-10-4-2-8(1)7-13-9-11-5-6-12-9/h1,10H,2-7H2,(H2,11,12,13)
InChIKeyCOHOADRMENTUQE-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.55
Rot. Bonds2

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114694366) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114694366
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=C(CNC2=NCCN2)CCNC1
InChIInChI=1S/C9H16N4/c1-3-10-4-2-8(1)7-13-9-11-5-6-12-9/h1,10H,2-7H2,(H2,11,12,13)
InChIKeyCOHOADRMENTUQE-UHFFFAOYSA-N
XLogP-0.55
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
CID 121451192
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11117858
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 107488805
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120190231
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-prop-2-enylguanidine
CID 120190232
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120190271
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 120190272
N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120340521
N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120340522
1-tert-butyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine;hydroiodide
CID 120340533
1-tert-butyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 120340534

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 114694366) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is C1=C(CNC2=NCCN2)CCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is COHOADRMENTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-10-4-2-8(1)7-13-9-11-5-6-12-9/h1,10H,2-7H2,(H2,11,12,13).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 180.25 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114694366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).