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

C14H26N4 — CID 79496562

IUPAC9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCN(C(C)C)CC2
InChIInChI=1S/C14H26N4/c1-4-8-18-13(15)16-11-14(18)6-5-9-17(10-7-14)12(2)3/h4,12H,1,5-11H2,2-3H3,(H2,15,16)
InChIKeySBAHJZQOGFVNOL-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.44
Rot. Bonds3

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

9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79496562) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79496562
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCN(C(C)C)CC2
InChIInChI=1S/C14H26N4/c1-4-8-18-13(15)16-11-14(18)6-5-9-17(10-7-14)12(2)3/h4,12H,1,5-11H2,2-3H3,(H2,15,16)
InChIKeySBAHJZQOGFVNOL-UHFFFAOYSA-N
XLogP1.44
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79496562) is 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is C=CCN1C(N)=NCC12CCCN(C(C)C)CC2.
What is the InChIKey of 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is SBAHJZQOGFVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-8-18-13(15)16-11-14(18)6-5-9-17(10-7-14)12(2)3/h4,12H,1,5-11H2,2-3H3,(H2,15,16).
What are the key properties of 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79496562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).