2-N-but-3-yn-2-ylhexane-1,2-diamine

C10H20N2 — CID 114415959

IUPAC2-N-but-3-yn-2-ylhexane-1,2-diamine
SMILESC#CC(C)NC(CN)CCCC
InChIInChI=1S/C10H20N2/c1-4-6-7-10(8-11)12-9(3)5-2/h2,9-10,12H,4,6-8,11H2,1,3H3
InChIKeyLPWOKHWZUMQVMZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.12
Rot. Bonds6

About 2-N-but-3-yn-2-ylhexane-1,2-diamine

2-N-but-3-yn-2-ylhexane-1,2-diamine (PubChem CID 114415959) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-N-but-3-yn-2-ylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-yn-2-ylhexane-1,2-diamine
PubChem CID114415959
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-N-but-3-yn-2-ylhexane-1,2-diamine
SMILESC#CC(C)NC(CN)CCCC
InChIInChI=1S/C10H20N2/c1-4-6-7-10(8-11)12-9(3)5-2/h2,9-10,12H,4,6-8,11H2,1,3H3
InChIKeyLPWOKHWZUMQVMZ-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-but-3-yn-2-ylnonane-1,2-diamine
CID 114415974
2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
N-pent-1-yn-3-ylheptan-3-amine
CID 106224922
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
2-N-prop-1-ynylhexane-1,2-diamine
CID 167266831
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
N-nonan-5-ylnonan-5-amine
CID 86205180
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
3-(but-3-yn-2-ylamino)pentanenitrile
CID 114416782
N-hex-5-yn-3-ylheptan-3-amine
CID 115723674
1-amino-2-(sulfamoylamino)hexane
CID 114959420

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-yn-2-ylhexane-1,2-diamine?
The IUPAC name of 2-N-but-3-yn-2-ylhexane-1,2-diamine (CID 114415959) is 2-N-but-3-yn-2-ylhexane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-yn-2-ylhexane-1,2-diamine?
The canonical SMILES for 2-N-but-3-yn-2-ylhexane-1,2-diamine is C#CC(C)NC(CN)CCCC.
What is the InChIKey of 2-N-but-3-yn-2-ylhexane-1,2-diamine?
The InChIKey is LPWOKHWZUMQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-6-7-10(8-11)12-9(3)5-2/h2,9-10,12H,4,6-8,11H2,1,3H3.
What are the key properties of 2-N-but-3-yn-2-ylhexane-1,2-diamine?
2-N-but-3-yn-2-ylhexane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-yn-2-ylhexane-1,2-diamine is sourced from PubChem (CID 114415959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).