N-but-3-ynylspiro[3.5]nonan-3-amine

C13H21N — CID 102951944

IUPACN-but-3-ynylspiro[3.5]nonan-3-amine
SMILESC#CCCNC1CCC12CCCCC2
InChIInChI=1S/C13H21N/c1-2-3-11-14-12-7-10-13(12)8-5-4-6-9-13/h1,12,14H,3-11H2
InChIKeyCVMVLABTQFKNDI-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.71
Rot. Bonds3

About N-but-3-ynylspiro[3.5]nonan-3-amine

N-but-3-ynylspiro[3.5]nonan-3-amine (PubChem CID 102951944) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-but-3-ynylspiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-but-3-ynylspiro[3.5]nonan-3-amine
PubChem CID102951944
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-but-3-ynylspiro[3.5]nonan-3-amine
SMILESC#CCCNC1CCC12CCCCC2
InChIInChI=1S/C13H21N/c1-2-3-11-14-12-7-10-13(12)8-5-4-6-9-13/h1,12,14H,3-11H2
InChIKeyCVMVLABTQFKNDI-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-but-3-ynylspiro[3.5]nonan-3-amine 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

N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
CID 102951932
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate
CID 102952283
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
CID 102952412
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-methylspiro[3.5]nonan-3-amine
CID 102951104
N-but-3-ynylspiro[2.5]octan-7-amine
CID 170903009
N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
CID 102951540
N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine
CID 164658812

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylspiro[3.5]nonan-3-amine?
The IUPAC name of N-but-3-ynylspiro[3.5]nonan-3-amine (CID 102951944) is N-but-3-ynylspiro[3.5]nonan-3-amine.
What is the SMILES notation for N-but-3-ynylspiro[3.5]nonan-3-amine?
The canonical SMILES for N-but-3-ynylspiro[3.5]nonan-3-amine is C#CCCNC1CCC12CCCCC2.
What is the InChIKey of N-but-3-ynylspiro[3.5]nonan-3-amine?
The InChIKey is CVMVLABTQFKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-11-14-12-7-10-13(12)8-5-4-6-9-13/h1,12,14H,3-11H2.
What are the key properties of N-but-3-ynylspiro[3.5]nonan-3-amine?
N-but-3-ynylspiro[3.5]nonan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylspiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).