N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine

C15H29N — CID 65087341

IUPACN-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CCCC(CC)CC2
InChIInChI=1S/C15H29N/c1-3-10-16-12-14-11-15(14)8-5-6-13(4-2)7-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDNLATZHKAXBRSW-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds5

About N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine

N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine (PubChem CID 65087341) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
PubChem CID65087341
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CCCC(CC)CC2
InChIInChI=1S/C15H29N/c1-3-10-16-12-14-11-15(14)8-5-6-13(4-2)7-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDNLATZHKAXBRSW-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
N-[(6-propylspiro[2.5]octan-2-yl)methyl]ethanamine
CID 62707804
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
N-(spiro[2.6]nonan-2-ylmethyl)ethanamine
CID 62708350
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
CID 64516469
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine
CID 62707974
N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
CID 65094892
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
CID 106824129

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine (CID 65087341) is N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine is CCCNCC1CC12CCCC(CC)CC2.
What is the InChIKey of N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine?
The InChIKey is DNLATZHKAXBRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-10-16-12-14-11-15(14)8-5-6-13(4-2)7-9-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine?
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65087341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).