N-hex-5-ynyl-1-methylazepan-4-amine

C13H24N2 — CID 103903669

IUPACN-hex-5-ynyl-1-methylazepan-4-amine
SMILESC#CCCCCNC1CCCN(C)CC1
InChIInChI=1S/C13H24N2/c1-3-4-5-6-10-14-13-8-7-11-15(2)12-9-13/h1,13-14H,4-12H2,2H3
InChIKeyBGJSGSJNWNDRTH-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds5

About N-hex-5-ynyl-1-methylazepan-4-amine

N-hex-5-ynyl-1-methylazepan-4-amine (PubChem CID 103903669) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-hex-5-ynyl-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-1-methylazepan-4-amine
PubChem CID103903669
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-hex-5-ynyl-1-methylazepan-4-amine
SMILESC#CCCCCNC1CCCN(C)CC1
InChIInChI=1S/C13H24N2/c1-3-4-5-6-10-14-13-8-7-11-15(2)12-9-13/h1,13-14H,4-12H2,2H3
InChIKeyBGJSGSJNWNDRTH-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
1-ethyl-N-pent-4-ynylazepan-4-amine
CID 106220583
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1-methylazepan-4-amine?
The IUPAC name of N-hex-5-ynyl-1-methylazepan-4-amine (CID 103903669) is N-hex-5-ynyl-1-methylazepan-4-amine.
What is the SMILES notation for N-hex-5-ynyl-1-methylazepan-4-amine?
The canonical SMILES for N-hex-5-ynyl-1-methylazepan-4-amine is C#CCCCCNC1CCCN(C)CC1.
What is the InChIKey of N-hex-5-ynyl-1-methylazepan-4-amine?
The InChIKey is BGJSGSJNWNDRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-5-6-10-14-13-8-7-11-15(2)12-9-13/h1,13-14H,4-12H2,2H3.
What are the key properties of N-hex-5-ynyl-1-methylazepan-4-amine?
N-hex-5-ynyl-1-methylazepan-4-amine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1-methylazepan-4-amine is sourced from PubChem (CID 103903669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).