5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine

C14H29N3 — CID 89317804

IUPAC5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine
SMILESC=CCC(NC(C)C)C(CC=C)N(N)C(C)C
InChIInChI=1S/C14H29N3/c1-7-9-13(16-11(3)4)14(10-8-2)17(15)12(5)6/h7-8,11-14,16H,1-2,9-10,15H2,3-6H3
InChIKeyBGLVCUKGBJDBJF-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.46
Rot. Bonds9

About 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine

5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine (PubChem CID 89317804) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine.

Molecular Properties

Compound Name5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine
PubChem CID89317804
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine
SMILESC=CCC(NC(C)C)C(CC=C)N(N)C(C)C
InChIInChI=1S/C14H29N3/c1-7-9-13(16-11(3)4)14(10-8-2)17(15)12(5)6/h7-8,11-14,16H,1-2,9-10,15H2,3-6H3
InChIKeyBGLVCUKGBJDBJF-UHFFFAOYSA-N
XLogP2.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine?
The IUPAC name of 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine (CID 89317804) is 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine.
What is the SMILES notation for 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine?
The canonical SMILES for 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine is C=CCC(NC(C)C)C(CC=C)N(N)C(C)C.
What is the InChIKey of 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine?
The InChIKey is BGLVCUKGBJDBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-7-9-13(16-11(3)4)14(10-8-2)17(15)12(5)6/h7-8,11-14,16H,1-2,9-10,15H2,3-6H3.
What are the key properties of 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine?
5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine has a molecular weight of 239.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(propan-2-yl)amino]-N-propan-2-ylocta-1,7-dien-4-amine is sourced from PubChem (CID 89317804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).