5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine

C16H32N2 — CID 130338733

IUPAC5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine
SMILESCCCCCCCC(C)(C)N1CC(N)C2(CC2)C1
InChIInChI=1S/C16H32N2/c1-4-5-6-7-8-9-15(2,3)18-12-14(17)16(13-18)10-11-16/h14H,4-13,17H2,1-3H3
InChIKeyQLNTWMBMWVLBEZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds7

About 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine

5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine (PubChem CID 130338733) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine
PubChem CID130338733
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine
SMILESCCCCCCCC(C)(C)N1CC(N)C2(CC2)C1
InChIInChI=1S/C16H32N2/c1-4-5-6-7-8-9-15(2,3)18-12-14(17)16(13-18)10-11-16/h14H,4-13,17H2,1-3H3
InChIKeyQLNTWMBMWVLBEZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide
CID 67680706
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
2,2-dimethylpropane;heptane
CID 144531055
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
2,6-dimethyl-1-(2-methylundecan-2-yl)piperidine
CID 150070854
5-tert-butyl-5-azaspiro[2.5]octan-8-amine
CID 160902227
1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
CID 130346741
3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
CID 114267629
3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
CID 139320078
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine (CID 130338733) is 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine is CCCCCCCC(C)(C)N1CC(N)C2(CC2)C1.
What is the InChIKey of 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is QLNTWMBMWVLBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-5-6-7-8-9-15(2,3)18-12-14(17)16(13-18)10-11-16/h14H,4-13,17H2,1-3H3.
What are the key properties of 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine?
5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylnonan-2-yl)-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 130338733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).