7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile

C11H19N3 — CID 164922080

IUPAC7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
SMILESCC(C)N1CCC2(CC1)CCN2C#N
InChIInChI=1S/C11H19N3/c1-10(2)13-6-3-11(4-7-13)5-8-14(11)9-12/h10H,3-8H2,1-2H3
InChIKeyMKYMAYRGYPNEPM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.42
Rot. Bonds1

About 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile

7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile (PubChem CID 164922080) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile.

Molecular Properties

Compound Name7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
PubChem CID164922080
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
SMILESCC(C)N1CCC2(CC1)CCN2C#N
InChIInChI=1S/C11H19N3/c1-10(2)13-6-3-11(4-7-13)5-8-14(11)9-12/h10H,3-8H2,1-2H3
InChIKeyMKYMAYRGYPNEPM-UHFFFAOYSA-N
XLogP1.42
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-propan-2-yl-1,8-diazaspiro[4.5]decane-1-carbonitrile
CID 164922004
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
6-propan-2-yl-1,6-diazaspiro[2.5]octane
CID 58584452
8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
CID 162769943
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
CID 171423088
4-anilino-1-propan-2-ylpiperidine-4-carbonitrile
CID 54886760
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
The IUPAC name of 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile (CID 164922080) is 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile.
What is the SMILES notation for 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
The canonical SMILES for 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile is CC(C)N1CCC2(CC1)CCN2C#N.
What is the InChIKey of 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
The InChIKey is MKYMAYRGYPNEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)13-6-3-11(4-7-13)5-8-14(11)9-12/h10H,3-8H2,1-2H3.
What are the key properties of 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile?
7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile is sourced from PubChem (CID 164922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).