N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine

C16H31NO — CID 79922733

IUPACN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
SMILESCCC(CCC1CCOC2(CCCCC2)C1)NC
InChIInChI=1S/C16H31NO/c1-3-15(17-2)8-7-14-9-12-18-16(13-14)10-5-4-6-11-16/h14-15,17H,3-13H2,1-2H3
InChIKeyFTTYMSZRVHBJDF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

About N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine (PubChem CID 79922733) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
PubChem CID79922733
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
SMILESCCC(CCC1CCOC2(CCCCC2)C1)NC
InChIInChI=1S/C16H31NO/c1-3-15(17-2)8-7-14-9-12-18-16(13-14)10-5-4-6-11-16/h14-15,17H,3-13H2,1-2H3
InChIKeyFTTYMSZRVHBJDF-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane
CID 79923297
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine?
The IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine (CID 79922733) is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine is CCC(CCC1CCOC2(CCCCC2)C1)NC.
What is the InChIKey of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine?
The InChIKey is FTTYMSZRVHBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-15(17-2)8-7-14-9-12-18-16(13-14)10-5-4-6-11-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine?
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine is sourced from PubChem (CID 79922733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).