N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine

C11H21NO — CID 82717348

IUPACN-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CCOC2C
InChIInChI=1S/C11H21NO/c1-3-5-12-8-10-7-11(10)4-6-13-9(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeySMFROQJRQJBBHK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine

N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine (PubChem CID 82717348) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine
PubChem CID82717348
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CCOC2C
InChIInChI=1S/C11H21NO/c1-3-5-12-8-10-7-11(10)4-6-13-9(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeySMFROQJRQJBBHK-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
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

N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534548
N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534503
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
3-(aminomethyl)-2-methyl-N-propyloxolan-3-amine
CID 82718753
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
2-methyl-3-(propylamino)oxolane-3-carboxylic acid
CID 82718479
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
CID 107265937
N-[[4,4-dimethyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 81030494
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114933906
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine (CID 82717348) is N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine is CCCNCC1CC12CCOC2C.
What is the InChIKey of N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
The InChIKey is SMFROQJRQJBBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-12-8-10-7-11(10)4-6-13-9(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine?
N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82717348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).