N-hex-5-ynylaniline

C12H15N — CID 166956597

IUPACN-hex-5-ynylaniline
SMILESC#CCCCCNc1ccccc1
InChIInChI=1S/C12H15N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h1,5-7,9-10,13H,3-4,8,11H2
InChIKeyYYUUFHOGMYYVRF-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.90
Rot. Bonds5

About N-hex-5-ynylaniline

N-hex-5-ynylaniline (PubChem CID 166956597) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-hex-5-ynylaniline.

Molecular Properties

Compound NameN-hex-5-ynylaniline
PubChem CID166956597
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-hex-5-ynylaniline
SMILESC#CCCCCNc1ccccc1
InChIInChI=1S/C12H15N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h1,5-7,9-10,13H,3-4,8,11H2
InChIKeyYYUUFHOGMYYVRF-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.90
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

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CID 68721632
10-anilinodecan-1-ol
CID 10955954
N-nonadecylaniline
CID 54509054
N-(5-bromopentyl)aniline
CID 20759134
N'-phenylheptane-1,7-diamine
CID 61149618
3-(pent-4-ynylamino)benzonitrile
CID 115871888
2-fluoro-4-(hex-5-ynylamino)benzoic acid
CID 106216760
N-hex-5-ynyl-2-hydroxybenzenesulfonamide
CID 114159058
N-heptylaniline;hydrate
CID 174886464
N-hex-5-ynylquinoxalin-2-amine
CID 113255983
3-N-hex-5-ynylpyridazine-3,6-diamine
CID 106215719
N-pent-4-ynyl-4-(trifluoromethoxy)aniline
CID 113343827

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylaniline?
The IUPAC name of N-hex-5-ynylaniline (CID 166956597) is N-hex-5-ynylaniline.
What is the SMILES notation for N-hex-5-ynylaniline?
The canonical SMILES for N-hex-5-ynylaniline is C#CCCCCNc1ccccc1.
What is the InChIKey of N-hex-5-ynylaniline?
The InChIKey is YYUUFHOGMYYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h1,5-7,9-10,13H,3-4,8,11H2.
What are the key properties of N-hex-5-ynylaniline?
N-hex-5-ynylaniline has a molecular weight of 173.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylaniline is sourced from PubChem (CID 166956597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).