1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine

C14H28N2 — CID 79185474

IUPAC1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
SMILESC=C(C)CC(N)C1(N(C)C)CCCCCC1
InChIInChI=1S/C14H28N2/c1-12(2)11-13(15)14(16(3)4)9-7-5-6-8-10-14/h13H,1,5-11,15H2,2-4H3
InChIKeyZWCUQZRLGCRADQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.93
Rot. Bonds4

About 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine

1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine (PubChem CID 79185474) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
PubChem CID79185474
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
SMILESC=C(C)CC(N)C1(N(C)C)CCCCCC1
InChIInChI=1S/C14H28N2/c1-12(2)11-13(15)14(16(3)4)9-7-5-6-8-10-14/h13H,1,5-11,15H2,2-4H3
InChIKeyZWCUQZRLGCRADQ-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-dimethyl-8-methylideneundecane-2,4-diamine
CID 18716553
5-N,5-N,2,4,6,7-hexamethyloct-7-ene-1,5-diamine
CID 137381493
1-N,1-N,2-trimethyl-5-methylidenehenicosane-1,2-diamine
CID 155187257
2-ethyl-1-N,6-N-dimethyl-3-methylideneheptane-1,5,6-triamine
CID 156087730
N-methyl-N'-(4-prop-2-enylcycloheptyl)ethane-1,2-diamine
CID 166884496
2-N,2-N-dimethyl-4-methylidene-3-propan-2-ylheptane-2,3-diamine
CID 169898733
N-methyl-3-(2-methylidenebutyl)cycloheptan-1-amine
CID 66036901
N-ethyl-3-(2-methylidenebutyl)cycloheptan-1-amine
CID 66036902
N-methyl-2-(2-methylidenebutyl)cycloheptan-1-amine
CID 66037122
N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine
CID 66037123
2-(2-methylidenebutyl)-N-propylcycloheptan-1-amine
CID 66037124
3-(2-methylidenebutyl)-N-propylcycloheptan-1-amine
CID 66037140

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine (CID 79185474) is 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine is C=C(C)CC(N)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine?
The InChIKey is ZWCUQZRLGCRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)11-13(15)14(16(3)4)9-7-5-6-8-10-14/h13H,1,5-11,15H2,2-4H3.
What are the key properties of 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine?
1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79185474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).