1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C14H28N4 — CID 79498008

IUPAC1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCCN1CCCC2(CC1)CN=C(N)N2C(C)C
InChIInChI=1S/C14H28N4/c1-4-8-17-9-5-6-14(7-10-17)11-16-13(15)18(14)12(2)3/h12H,4-11H2,1-3H3,(H2,15,16)
InChIKeyHGMCVBUJBIQAOV-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.66
Rot. Bonds3

About 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79498008) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79498008
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCCN1CCCC2(CC1)CN=C(N)N2C(C)C
InChIInChI=1S/C14H28N4/c1-4-8-17-9-5-6-14(7-10-17)11-16-13(15)18(14)12(2)3/h12H,4-11H2,1-3H3,(H2,15,16)
InChIKeyHGMCVBUJBIQAOV-UHFFFAOYSA-N
XLogP1.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498392
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79520778
1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79504939
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79514056
1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496898
1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79502004
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498192
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79497621
7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497807

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79498008) is 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCCN1CCCC2(CC1)CN=C(N)N2C(C)C.
What is the InChIKey of 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is HGMCVBUJBIQAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-8-17-9-5-6-14(7-10-17)11-16-13(15)18(14)12(2)3/h12H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 252.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79498008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).