hept-2-yn-1-amine

C7H13N — CID 10850568

IUPAChept-2-yn-1-amine
SMILESCCCCC#CCN
InChIInChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-4,7-8H2,1H3
InChIKeyQXYBQLJHJDODAR-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.14
Rot. Bonds2

About hept-2-yn-1-amine

hept-2-yn-1-amine (PubChem CID 10850568) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is hept-2-yn-1-amine.

Molecular Properties

Compound Namehept-2-yn-1-amine
PubChem CID10850568
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namehept-2-yn-1-amine
SMILESCCCCC#CCN
InChIInChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-4,7-8H2,1H3
InChIKeyQXYBQLJHJDODAR-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.14
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

Pent-3-yn-1-amine
CID 13756235
Pent-2-yn-1-amine
CID 11205717
But-2-yn-1-amine hydrochloride
CID 12599999
But-2-yn-1-amine
CID 12599998
Hex-4-yn-1-amine
CID 11789135
Pent-3-yn-1-amine hydrochloride
CID 71340253
Pent-2-yn-1-amine hydrochloride
CID 87611592
Hex-3-YN-1-amine
CID 21391884
Hex-3-yn-1-amine hydrochloride
CID 85604935
Hept-5-yn-1-amine
CID 11815311
Nona-2,4-diyn-1-amine
CID 15354670
4,4-Dimethyl-2-pentyn-1-amine
CID 55281321

Frequently Asked Questions

What is the IUPAC name of hept-2-yn-1-amine?
The IUPAC name of hept-2-yn-1-amine (CID 10850568) is hept-2-yn-1-amine.
What is the SMILES notation for hept-2-yn-1-amine?
The canonical SMILES for hept-2-yn-1-amine is CCCCC#CCN.
What is the InChIKey of hept-2-yn-1-amine?
The InChIKey is QXYBQLJHJDODAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-4,7-8H2,1H3.
What are the key properties of hept-2-yn-1-amine?
hept-2-yn-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-yn-1-amine is sourced from PubChem (CID 10850568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).