N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine

C12H25NO — CID 166718334

IUPACN,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine
SMILESC=C(C)OCCC(C)CC(CC)NC
InChIInChI=1S/C12H25NO/c1-6-12(13-5)9-11(4)7-8-14-10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeyYFUROMOFXVBQRB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.95
Rot. Bonds8

About N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine

N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine (PubChem CID 166718334) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine
PubChem CID166718334
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine
SMILESC=C(C)OCCC(C)CC(CC)NC
InChIInChI=1S/C12H25NO/c1-6-12(13-5)9-11(4)7-8-14-10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeyYFUROMOFXVBQRB-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 105182739
N,5,7-trimethyloctan-3-amine
CID 123511770
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
2-methyl-1-prop-1-en-2-yloxybutane
CID 123339026
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
5-(methylamino)heptan-2-one
CID 116956117
N,6-dimethyl-5-methylidenehept-6-en-3-amine
CID 163494858
6-methoxy-N,2,5-trimethylhex-1-en-3-amine
CID 105163815
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
2-prop-1-en-2-yloxyethyl 2-ethylpentanoate
CID 155607626

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine?
The IUPAC name of N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine (CID 166718334) is N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine.
What is the SMILES notation for N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine?
The canonical SMILES for N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine is C=C(C)OCCC(C)CC(CC)NC.
What is the InChIKey of N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine?
The InChIKey is YFUROMOFXVBQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-12(13-5)9-11(4)7-8-14-10(2)3/h11-13H,2,6-9H2,1,3-5H3.
What are the key properties of N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine?
N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine is sourced from PubChem (CID 166718334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).