N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine

C16H31NO2 — CID 66324414

IUPACN-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(COCC2CCCC2)O1
InChIInChI=1S/C16H31NO2/c1-16(2,3)17-10-14-8-9-15(19-14)12-18-11-13-6-4-5-7-13/h13-15,17H,4-12H2,1-3H3
InChIKeyDBVWOKVDGWKNAI-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66324414) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66324414
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(COCC2CCCC2)O1
InChIInChI=1S/C16H31NO2/c1-16(2,3)17-10-14-8-9-15(19-14)12-18-11-13-6-4-5-7-13/h13-15,17H,4-12H2,1-3H3
InChIKeyDBVWOKVDGWKNAI-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine (CID 66324414) is N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC(COCC2CCCC2)O1.
What is the InChIKey of N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DBVWOKVDGWKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2,3)17-10-14-8-9-15(19-14)12-18-11-13-6-4-5-7-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66324414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).