N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine

C13H25N — CID 64516469

IUPACN-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
SMILESCCC1CCC2(C1)CC2CNC(C)C
InChIInChI=1S/C13H25N/c1-4-11-5-6-13(7-11)8-12(13)9-14-10(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyDANXFYUXAUAHCN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds4

About N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine

N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine (PubChem CID 64516469) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
PubChem CID64516469
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
SMILESCCC1CCC2(C1)CC2CNC(C)C
InChIInChI=1S/C13H25N/c1-4-11-5-6-13(7-11)8-12(13)9-14-10(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyDANXFYUXAUAHCN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
CID 63333426
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
N-(7-oxaspiro[2.6]nonan-2-ylmethyl)propan-2-amine
CID 65080666
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine
CID 62707974
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
N-[(6-propylspiro[2.5]octan-2-yl)methyl]ethanamine
CID 62707804
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine (CID 64516469) is N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine is CCC1CCC2(C1)CC2CNC(C)C.
What is the InChIKey of N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
The InChIKey is DANXFYUXAUAHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11-5-6-13(7-11)8-12(13)9-14-10(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine?
N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 64516469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).