ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

C16H34N4O — CID 144642118

IUPACethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCC.CN1CCOC2(CCN(C3CCNCC3N)CC2)C1
InChIInChI=1S/C14H28N4O.C2H6/c1-17-8-9-19-14(11-17)3-6-18(7-4-14)13-2-5-16-10-12(13)15;1-2/h12-13,16H,2-11,15H2,1H3;1-2H3
InChIKeyBUHASRNAAVLHIE-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.50
Rot. Bonds1

About ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (PubChem CID 144642118) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.

Molecular Properties

Compound Nameethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
PubChem CID144642118
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Nameethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCC.CN1CCOC2(CCN(C3CCNCC3N)CC2)C1
InChIInChI=1S/C14H28N4O.C2H6/c1-17-8-9-19-14(11-17)3-6-18(7-4-14)13-2-5-16-10-12(13)15;1-2/h12-13,16H,2-11,15H2,1H3;1-2H3
InChIKeyBUHASRNAAVLHIE-UHFFFAOYSA-N
XLogP0.50
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The IUPAC name of ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (CID 144642118) is ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.
What is the SMILES notation for ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The canonical SMILES for ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is CC.CN1CCOC2(CCN(C3CCNCC3N)CC2)C1.
What is the InChIKey of ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The InChIKey is BUHASRNAAVLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.C2H6/c1-17-8-9-19-14(11-17)3-6-18(7-4-14)13-2-5-16-10-12(13)15;1-2/h12-13,16H,2-11,15H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine has a molecular weight of 298.47 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is sourced from PubChem (CID 144642118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).