1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine

C10H17N — CID 143285714

IUPAC1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
SMILESCC(N)CC1=CC=CCC1C
InChIInChI=1S/C10H17N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-4,6,8-9H,5,7,11H2,1-2H3
InChIKeySWTQAILBFUSHGB-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds2

About 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine

1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine (PubChem CID 143285714) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
PubChem CID143285714
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
SMILESCC(N)CC1=CC=CCC1C
InChIInChI=1S/C10H17N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-4,6,8-9H,5,7,11H2,1-2H3
InChIKeySWTQAILBFUSHGB-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
(2S,3S)-3-amino-1-[amino(methyl)amino]-4-(6-methylcyclohexa-1,3-dien-1-yl)butan-2-ol
CID 144524923
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene
CID 155697541
6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
CID 166712660
3-(6-methylcyclohexa-1,3-dien-1-yl)-2-(prop-2-enoylamino)propanoic acid
CID 126747901
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
4-[(2S)-2-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]benzonitrile
CID 118675235
4-methyl-1-(2-methylpropyl)cyclobutene
CID 123924362

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine?
The IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine (CID 143285714) is 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine?
The canonical SMILES for 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine is CC(N)CC1=CC=CCC1C.
What is the InChIKey of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine?
The InChIKey is SWTQAILBFUSHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-4,6,8-9H,5,7,11H2,1-2H3.
What are the key properties of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine?
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine is sourced from PubChem (CID 143285714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).