2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine

C11H19N3 — CID 143217239

IUPAC2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC(N(N)C(C)C)=C(N)C=CC1
InChIInChI=1S/C11H19N3/c1-8(2)14(13)11-7-9(3)5-4-6-10(11)12/h4,6-8H,5,12-13H2,1-3H3
InChIKeyRGCRNTGOONDQLT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.65
Rot. Bonds2

About 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine

2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 143217239) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID143217239
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC(N(N)C(C)C)=C(N)C=CC1
InChIInChI=1S/C11H19N3/c1-8(2)14(13)11-7-9(3)5-4-6-10(11)12/h4,6-8H,5,12-13H2,1-3H3
InChIKeyRGCRNTGOONDQLT-UHFFFAOYSA-N
XLogP1.65
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.65
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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Related Compounds

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6-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyridazine
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3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
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4-N-methyl-5-[(Z)-pent-1-enyl]-2,3,6,7-tetrahydroazepine-1,4-diamine
CID 89623841
(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
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1-(3-Ethenylhept-3-en-2-yl)-1-methylhydrazine
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3-Methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
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CID 123999242
(5aR)-8,9-dimethyl-1,2,5,5a-tetrahydropyrido[1,2-b]diazepin-3-amine
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1-(6-ethenyl-4-methylidene-2,3-dihydro-1H-pyridin-5-yl)-1-propylhydrazine
CID 134292157
(2E,4Z,6E)-7-[amino(prop-2-enyl)amino]-3-methylocta-2,4,6-trien-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine (CID 143217239) is 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine is CC1=CC(N(N)C(C)C)=C(N)C=CC1.
What is the InChIKey of 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is RGCRNTGOONDQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)14(13)11-7-9(3)5-4-6-10(11)12/h4,6-8H,5,12-13H2,1-3H3.
What are the key properties of 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine?
2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]-4-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143217239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).