N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine

C18H29NO2 — CID 79899013

IUPACN-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(CCc1ccco1)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H29NO2/c1-15(7-8-17-6-5-12-20-17)19-16-9-13-21-18(14-16)10-3-2-4-11-18/h5-6,12,15-16,19H,2-4,7-11,13-14H2,1H3
InChIKeySHBKKXRIAJEDMG-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.07
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine

N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79899013) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79899013
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(CCc1ccco1)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H29NO2/c1-15(7-8-17-6-5-12-20-17)19-16-9-13-21-18(14-16)10-3-2-4-11-18/h5-6,12,15-16,19H,2-4,7-11,13-14H2,1H3
InChIKeySHBKKXRIAJEDMG-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124888728
N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895087
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine (CID 79899013) is N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine is CC(CCc1ccco1)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is SHBKKXRIAJEDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(7-8-17-6-5-12-20-17)19-16-9-13-21-18(14-16)10-3-2-4-11-18/h5-6,12,15-16,19H,2-4,7-11,13-14H2,1H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine?
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 291.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79899013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).