N-prop-2-ynylcyclohexanamine;hydrobromide

C9H16BrN — CID 3051295

IUPACN-prop-2-ynylcyclohexanamine;hydrobromide
SMILESBr.C#CCNC1CCCCC1
InChIInChI=1S/C9H15N.BrH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H
InChIKeyGDZGPGGBPHUOQA-UHFFFAOYSA-N
MW218.14 g/mol
LogP2.12
Rot. Bonds2

About N-prop-2-ynylcyclohexanamine;hydrobromide

N-prop-2-ynylcyclohexanamine;hydrobromide (PubChem CID 3051295) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is N-prop-2-ynylcyclohexanamine;hydrobromide.

Molecular Properties

Compound NameN-prop-2-ynylcyclohexanamine;hydrobromide
PubChem CID3051295
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC NameN-prop-2-ynylcyclohexanamine;hydrobromide
SMILESBr.C#CCNC1CCCCC1
InChIInChI=1S/C9H15N.BrH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H
InChIKeyGDZGPGGBPHUOQA-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dioxo-N-prop-2-ynylthian-4-amine
CID 43511413
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
ethane;N-ethylcyclohexanamine
CID 144865505
N-(4,4-dimethylpent-2-ynyl)cyclohexanamine
CID 130478445
N-prop-2-ynylthietan-3-amine;hydrochloride
CID 122164045
1-(cyclopentylamino)pent-4-yn-2-one
CID 116558943
cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
CID 63952287
[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
CID 130608522
N-(iodomethyl)cyclohexanamine
CID 89271682
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-ethylcyclohexanamine;hydroxylamine
CID 142330095

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylcyclohexanamine;hydrobromide?
The IUPAC name of N-prop-2-ynylcyclohexanamine;hydrobromide (CID 3051295) is N-prop-2-ynylcyclohexanamine;hydrobromide.
What is the SMILES notation for N-prop-2-ynylcyclohexanamine;hydrobromide?
The canonical SMILES for N-prop-2-ynylcyclohexanamine;hydrobromide is Br.C#CCNC1CCCCC1.
What is the InChIKey of N-prop-2-ynylcyclohexanamine;hydrobromide?
The InChIKey is GDZGPGGBPHUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.BrH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H.
What are the key properties of N-prop-2-ynylcyclohexanamine;hydrobromide?
N-prop-2-ynylcyclohexanamine;hydrobromide has a molecular weight of 218.14 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylcyclohexanamine;hydrobromide is sourced from PubChem (CID 3051295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).