N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine

C12H15N5 — CID 94209024

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine
SMILESC1=CC[C@H](CNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C12H15N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-2,7-9H,3-6H2,(H2,13,14,15,16,17)/t9-/m0/s1
InChIKeyLJNUPNKKQIXIRQ-VIFPVBQESA-N
MW229.29 g/mol
LogP2.12
Rot. Bonds3

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine (PubChem CID 94209024) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine
PubChem CID94209024
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine
SMILESC1=CC[C@H](CNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C12H15N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-2,7-9H,3-6H2,(H2,13,14,15,16,17)/t9-/m0/s1
InChIKeyLJNUPNKKQIXIRQ-VIFPVBQESA-N
XLogP2.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide
CID 133441825
(7H-purin-6-ylamino)methanol
CID 86209273
5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
CID 66320647
N-(morpholin-2-ylmethyl)-7H-purin-6-amine
CID 115324260
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
CID 133293354
benzyl 3-[(7H-purin-6-ylamino)methyl]pyrrolidine-1-carboxylate
CID 23577264
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine (CID 94209024) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine is C1=CC[C@H](CNc2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine?
The InChIKey is LJNUPNKKQIXIRQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-2,7-9H,3-6H2,(H2,13,14,15,16,17)/t9-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine has a molecular weight of 229.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 94209024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).