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

C16H30N4 — CID 79520778

IUPAC1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCCN1CCCC2(CC1)CN=C(N)N2C1CCCC1
InChIInChI=1S/C16H30N4/c1-2-10-19-11-5-8-16(9-12-19)13-18-15(17)20(16)14-6-3-4-7-14/h14H,2-13H2,1H3,(H2,17,18)
InChIKeyYTFINVUZOMQTMB-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.19
Rot. Bonds3

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

1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79520778) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79520778
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCCN1CCCC2(CC1)CN=C(N)N2C1CCCC1
InChIInChI=1S/C16H30N4/c1-2-10-19-11-5-8-16(9-12-19)13-18-15(17)20(16)14-6-3-4-7-14/h14H,2-13H2,1H3,(H2,17,18)
InChIKeyYTFINVUZOMQTMB-UHFFFAOYSA-N
XLogP2.19
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496898
1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498008
1-cyclopentyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521648
1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79504939
1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
CID 79509216
1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520870
1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498192
1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79502004
1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497715
1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521132
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
1-cyclopentyl-5-methyl-5-pentyl-4H-imidazol-2-amine
CID 80560358

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79520778) is 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCCN1CCCC2(CC1)CN=C(N)N2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is YTFINVUZOMQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-2-10-19-11-5-8-16(9-12-19)13-18-15(17)20(16)14-6-3-4-7-14/h14H,2-13H2,1H3,(H2,17,18).
What are the key properties of 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79520778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).