(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine

C11H23N3 — CID 166650376

IUPAC(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine
SMILESCCCN(N)C1=CC(N)C[C@H](C)CC1
InChIInChI=1S/C11H23N3/c1-3-6-14(13)11-5-4-9(2)7-10(12)8-11/h8-10H,3-7,12-13H2,1-2H3/t9-,10?/m1/s1
InChIKeyGQNNWXULUZXSAL-YHMJZVADSA-N
MW197.33 g/mol
LogP1.60
Rot. Bonds3

About (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine

(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine (PubChem CID 166650376) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine.

Molecular Properties

Compound Name(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine
PubChem CID166650376
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine
SMILESCCCN(N)C1=CC(N)C[C@H](C)CC1
InChIInChI=1S/C11H23N3/c1-3-6-14(13)11-5-4-9(2)7-10(12)8-11/h8-10H,3-7,12-13H2,1-2H3/t9-,10?/m1/s1
InChIKeyGQNNWXULUZXSAL-YHMJZVADSA-N
XLogP1.60
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine?
The IUPAC name of (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine (CID 166650376) is (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine.
What is the SMILES notation for (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine?
The canonical SMILES for (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine is CCCN(N)C1=CC(N)C[C@H](C)CC1.
What is the InChIKey of (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine?
The InChIKey is GQNNWXULUZXSAL-YHMJZVADSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-6-14(13)11-5-4-9(2)7-10(12)8-11/h8-10H,3-7,12-13H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine?
(6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[amino(propyl)amino]-6-methylcyclohept-2-en-1-amine is sourced from PubChem (CID 166650376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).