1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine

C14H27N3 — CID 79498245

IUPAC1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCCCCC2
InChIInChI=1S/C14H27N3/c1-12(2)10-17-13(15)16-11-14(17)8-6-4-3-5-7-9-14/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeySKYQKDRSMBPIAL-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine

1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine (PubChem CID 79498245) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
PubChem CID79498245
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCCCCC2
InChIInChI=1S/C14H27N3/c1-12(2)10-17-13(15)16-11-14(17)8-6-4-3-5-7-9-14/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeySKYQKDRSMBPIAL-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79497099
1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497495
7-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497692
7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498076
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525
5-(methoxymethyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79497499
1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505489
12-(2-methoxyethyl)-10,12-diazadispiro[4.2.48.25]tetradec-10-en-11-amine
CID 114821306
5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine
CID 79498451
1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
CID 79509216
1-(2-methoxyethyl)-8,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79505084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine (CID 79498245) is 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCCCCCC2.
What is the InChIKey of 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
The InChIKey is SKYQKDRSMBPIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)10-17-13(15)16-11-14(17)8-6-4-3-5-7-9-14/h12H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine?
1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine is sourced from PubChem (CID 79498245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).