N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C17H29NO2 — CID 66324001

IUPACN-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COCC1CCCC1
InChIInChI=1S/C17H29NO2/c1-13-15(12-19-11-14-7-5-6-8-14)9-16(20-13)10-18-17(2,3)4/h9,14,18H,5-8,10-12H2,1-4H3
InChIKeySJCVHSKATFAQDJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds6

About N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66324001) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66324001
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COCC1CCCC1
InChIInChI=1S/C17H29NO2/c1-13-15(12-19-11-14-7-5-6-8-14)9-16(20-13)10-18-17(2,3)4/h9,14,18H,5-8,10-12H2,1-4H3
InChIKeySJCVHSKATFAQDJ-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 66324001) is N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1oc(CNC(C)(C)C)cc1COCC1CCCC1.
What is the InChIKey of N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SJCVHSKATFAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13-15(12-19-11-14-7-5-6-8-14)9-16(20-13)10-18-17(2,3)4/h9,14,18H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66324001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).