1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine

C13H25N — CID 123728410

IUPAC1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine
SMILESCC=CC1CC(C)(N)CC(C)CC1C
InChIInChI=1S/C13H25N/c1-5-6-12-9-13(4,14)8-10(2)7-11(12)3/h5-6,10-12H,7-9,14H2,1-4H3
InChIKeyAVEVVFNVNPQNNC-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds1

About 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine

1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine (PubChem CID 123728410) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine.

Molecular Properties

Compound Name1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine
PubChem CID123728410
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine
SMILESCC=CC1CC(C)(N)CC(C)CC1C
InChIInChI=1S/C13H25N/c1-5-6-12-9-13(4,14)8-10(2)7-11(12)3/h5-6,10-12H,7-9,14H2,1-4H3
InChIKeyAVEVVFNVNPQNNC-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
CID 20661398
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
3,5,5,6,6-pentamethyl-1-[(E)-prop-1-enyl]-1,2,3,3a,4,6a-hexahydropentalene;3,8,8,9,9-pentamethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane
CID 157196446
(1S,2R,4R)-4-amino-2,4-dimethylcyclopentan-1-ol
CID 99995754
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
(1S)-1-methyl-7-[(E)-prop-1-enyl]tricyclo[4.2.1.02,4]nonane
CID 163594846
1,2,4-trimethyl-6-prop-1-enylcyclooctane
CID 123792148
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
4-methyl-5-prop-1-enylcyclohexene
CID 123539934
cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine
CID 68730279

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine?
The IUPAC name of 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine (CID 123728410) is 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine.
What is the SMILES notation for 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine?
The canonical SMILES for 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine is CC=CC1CC(C)(N)CC(C)CC1C.
What is the InChIKey of 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine?
The InChIKey is AVEVVFNVNPQNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-6-12-9-13(4,14)8-10(2)7-11(12)3/h5-6,10-12H,7-9,14H2,1-4H3.
What are the key properties of 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine?
1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-prop-1-enylcycloheptan-1-amine is sourced from PubChem (CID 123728410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).