6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine

C10H18N2 — CID 130316505

IUPAC6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine
SMILESCC1=C(C(C)C)CC(N)C=C1N
InChIInChI=1S/C10H18N2/c1-6(2)9-4-8(11)5-10(12)7(9)3/h5-6,8H,4,11-12H2,1-3H3
InChIKeyMMICJHLUXJHCTE-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.53
Rot. Bonds1

About 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine

6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 130316505) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine
PubChem CID130316505
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine
SMILESCC1=C(C(C)C)CC(N)C=C1N
InChIInChI=1S/C10H18N2/c1-6(2)9-4-8(11)5-10(12)7(9)3/h5-6,8H,4,11-12H2,1-3H3
InChIKeyMMICJHLUXJHCTE-UHFFFAOYSA-N
XLogP1.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine (CID 130316505) is 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine is CC1=C(C(C)C)CC(N)C=C1N.
What is the InChIKey of 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is MMICJHLUXJHCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6(2)9-4-8(11)5-10(12)7(9)3/h5-6,8H,4,11-12H2,1-3H3.
What are the key properties of 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine?
6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-ylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 130316505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).