2-N-prop-1-ynylhexane-1,2-diamine

C9H18N2 — CID 167266831

IUPAC2-N-prop-1-ynylhexane-1,2-diamine
SMILESCC#CNC(CN)CCCC
InChIInChI=1S/C9H18N2/c1-3-5-6-9(8-10)11-7-4-2/h9,11H,3,5-6,8,10H2,1-2H3
InChIKeyPJRCGMZSNQTBCL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.07
Rot. Bonds5

About 2-N-prop-1-ynylhexane-1,2-diamine

2-N-prop-1-ynylhexane-1,2-diamine (PubChem CID 167266831) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-N-prop-1-ynylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-prop-1-ynylhexane-1,2-diamine
PubChem CID167266831
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-N-prop-1-ynylhexane-1,2-diamine
SMILESCC#CNC(CN)CCCC
InChIInChI=1S/C9H18N2/c1-3-5-6-9(8-10)11-7-4-2/h9,11H,3,5-6,8,10H2,1-2H3
InChIKeyPJRCGMZSNQTBCL-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
2-N-but-3-yn-2-ylhexane-1,2-diamine
CID 114415959
2-butylhexan-1-amine
CID 54041151
1-amino-2-(sulfamoylamino)hexane
CID 114959420
2-butylpropane-1,3-diamine;ethane
CID 142824010
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
N-nonan-5-ylnonan-5-amine
CID 86205180
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
(2S)-2-ethylhexan-1-amine
CID 6999997
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
2-ethylhexan-1-amine;hydrate
CID 173045208

Frequently Asked Questions

What is the IUPAC name of 2-N-prop-1-ynylhexane-1,2-diamine?
The IUPAC name of 2-N-prop-1-ynylhexane-1,2-diamine (CID 167266831) is 2-N-prop-1-ynylhexane-1,2-diamine.
What is the SMILES notation for 2-N-prop-1-ynylhexane-1,2-diamine?
The canonical SMILES for 2-N-prop-1-ynylhexane-1,2-diamine is CC#CNC(CN)CCCC.
What is the InChIKey of 2-N-prop-1-ynylhexane-1,2-diamine?
The InChIKey is PJRCGMZSNQTBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-6-9(8-10)11-7-4-2/h9,11H,3,5-6,8,10H2,1-2H3.
What are the key properties of 2-N-prop-1-ynylhexane-1,2-diamine?
2-N-prop-1-ynylhexane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-1-ynylhexane-1,2-diamine is sourced from PubChem (CID 167266831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).