N-(3-cyclopropylpropyl)-7H-purin-6-amine

C11H15N5 — CID 115637547

IUPACN-(3-cyclopropylpropyl)-7H-purin-6-amine
SMILESc1nc(NCCCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5/c1(2-8-3-4-8)5-12-10-9-11(14-6-13-9)16-7-15-10/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKeyNKLYWDFTDKIXRH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.96
Rot. Bonds5

About N-(3-cyclopropylpropyl)-7H-purin-6-amine

N-(3-cyclopropylpropyl)-7H-purin-6-amine (PubChem CID 115637547) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-7H-purin-6-amine
PubChem CID115637547
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(3-cyclopropylpropyl)-7H-purin-6-amine
SMILESc1nc(NCCCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N5/c1(2-8-3-4-8)5-12-10-9-11(14-6-13-9)16-7-15-10/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKeyNKLYWDFTDKIXRH-UHFFFAOYSA-N
XLogP1.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
(7H-purin-6-ylamino)methanol
CID 86209273
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide
CID 133441825
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine
CID 94209024
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
CID 113412966
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-7H-purin-6-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-7H-purin-6-amine (CID 115637547) is N-(3-cyclopropylpropyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-7H-purin-6-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-7H-purin-6-amine is c1nc(NCCCC2CC2)c2[nH]cnc2n1.
What is the InChIKey of N-(3-cyclopropylpropyl)-7H-purin-6-amine?
The InChIKey is NKLYWDFTDKIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1(2-8-3-4-8)5-12-10-9-11(14-6-13-9)16-7-15-10/h6-8H,1-5H2,(H2,12,13,14,15,16).
What are the key properties of N-(3-cyclopropylpropyl)-7H-purin-6-amine?
N-(3-cyclopropylpropyl)-7H-purin-6-amine has a molecular weight of 217.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-7H-purin-6-amine is sourced from PubChem (CID 115637547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).