N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine

C15H28N2O2 — CID 10539871

IUPACN-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine
SMILESCC/C(=N/N(C)C)[C@@H](C)[C@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C15H28N2O2/c1-7-13(16-17(5)6)11(2)12-8-15(12)18-9-14(3,4)10-19-15/h11-12H,7-10H2,1-6H3/b16-13-/t11-,12+/m0/s1
InChIKeyNZNVPWKSNUDRAU-FNZKRBGKSA-N
MW268.40 g/mol
LogP2.74
Rot. Bonds4

About N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine

N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine (PubChem CID 10539871) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine
PubChem CID10539871
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine
SMILESCC/C(=N/N(C)C)[C@@H](C)[C@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C15H28N2O2/c1-7-13(16-17(5)6)11(2)12-8-15(12)18-9-14(3,4)10-19-15/h11-12H,7-10H2,1-6H3/b16-13-/t11-,12+/m0/s1
InChIKeyNZNVPWKSNUDRAU-FNZKRBGKSA-N
XLogP2.74
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine (CID 10539871) is N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine is CC/C(=N/N(C)C)[C@@H](C)[C@H]1CC12OCC(C)(C)CO2.
What is the InChIKey of N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine?
The InChIKey is NZNVPWKSNUDRAU-FNZKRBGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-13(16-17(5)6)11(2)12-8-15(12)18-9-14(3,4)10-19-15/h11-12H,7-10H2,1-6H3/b16-13-/t11-,12+/m0/s1.
What are the key properties of N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine?
N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2S)-2-[(2R)-6,6-dimethyl-4,8-dioxaspiro[2.5]octan-2-yl]pentan-3-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 10539871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).