N-hex-5-ynylheptan-3-amine

C13H25N — CID 103903630

IUPACN-hex-5-ynylheptan-3-amine
SMILESC#CCCCCNC(CC)CCCC
InChIInChI=1S/C13H25N/c1-4-7-9-10-12-14-13(6-3)11-8-5-2/h1,13-14H,5-12H2,2-3H3
InChIKeyGCGCCWGWMJJVNW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds9

About N-hex-5-ynylheptan-3-amine

N-hex-5-ynylheptan-3-amine (PubChem CID 103903630) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-hex-5-ynylheptan-3-amine.

Molecular Properties

Compound NameN-hex-5-ynylheptan-3-amine
PubChem CID103903630
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-hex-5-ynylheptan-3-amine
SMILESC#CCCCCNC(CC)CCCC
InChIInChI=1S/C13H25N/c1-4-7-9-10-12-14-13(6-3)11-8-5-2/h1,13-14H,5-12H2,2-3H3
InChIKeyGCGCCWGWMJJVNW-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-pentylheptan-3-amine
CID 63944300
N-but-3-ynylhexan-3-amine
CID 63656863
N-tridecylpentadecan-3-amine
CID 88820168
N-hexan-3-ylhexan-1-amine
CID 62117591
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
N-pentyloctan-4-amine
CID 106023306
N-ethylheptadec-1-yn-6-amine
CID 105034079
N-pent-4-ynylheptan-2-amine
CID 115724834
CID 172706336
CID 172706336

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylheptan-3-amine?
The IUPAC name of N-hex-5-ynylheptan-3-amine (CID 103903630) is N-hex-5-ynylheptan-3-amine.
What is the SMILES notation for N-hex-5-ynylheptan-3-amine?
The canonical SMILES for N-hex-5-ynylheptan-3-amine is C#CCCCCNC(CC)CCCC.
What is the InChIKey of N-hex-5-ynylheptan-3-amine?
The InChIKey is GCGCCWGWMJJVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-9-10-12-14-13(6-3)11-8-5-2/h1,13-14H,5-12H2,2-3H3.
What are the key properties of N-hex-5-ynylheptan-3-amine?
N-hex-5-ynylheptan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylheptan-3-amine is sourced from PubChem (CID 103903630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).