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

C13H26N2 — CID 114415974

IUPAC2-N-but-3-yn-2-ylnonane-1,2-diamine
SMILESC#CC(C)NC(CN)CCCCCCC
InChIInChI=1S/C13H26N2/c1-4-6-7-8-9-10-13(11-14)15-12(3)5-2/h2,12-13,15H,4,6-11,14H2,1,3H3
InChIKeyORVAPBIHTKFJFR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.29
Rot. Bonds9

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

2-N-but-3-yn-2-ylnonane-1,2-diamine (PubChem CID 114415974) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-N-but-3-yn-2-ylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-yn-2-ylnonane-1,2-diamine
PubChem CID114415974
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-N-but-3-yn-2-ylnonane-1,2-diamine
SMILESC#CC(C)NC(CN)CCCCCCC
InChIInChI=1S/C13H26N2/c1-4-6-7-8-9-10-13(11-14)15-12(3)5-2/h2,12-13,15H,4,6-11,14H2,1,3H3
InChIKeyORVAPBIHTKFJFR-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-N-but-3-yn-2-ylhexane-1,2-diamine
CID 114415959
2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
2-N-(2-methylpropyl)nonane-1,2-diamine
CID 65385407
2-N-cyclopropyloctane-1,2-diamine
CID 62069624
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yltridecan-5-amine
CID 79413155
N-propan-2-yldodecan-5-amine
CID 79412905
2-N-(2,2-difluoroethyl)undecane-1,2-diamine
CID 114078509
2-methyltricosan-1-amine
CID 87547792
2-methylnonan-1-amine
CID 21396878
2-methyloctadecan-1-amine
CID 56980469
(3R)-3-methyloct-1-yne
CID 59216928

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-yn-2-ylnonane-1,2-diamine?
The IUPAC name of 2-N-but-3-yn-2-ylnonane-1,2-diamine (CID 114415974) is 2-N-but-3-yn-2-ylnonane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-yn-2-ylnonane-1,2-diamine?
The canonical SMILES for 2-N-but-3-yn-2-ylnonane-1,2-diamine is C#CC(C)NC(CN)CCCCCCC.
What is the InChIKey of 2-N-but-3-yn-2-ylnonane-1,2-diamine?
The InChIKey is ORVAPBIHTKFJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-6-7-8-9-10-13(11-14)15-12(3)5-2/h2,12-13,15H,4,6-11,14H2,1,3H3.
What are the key properties of 2-N-but-3-yn-2-ylnonane-1,2-diamine?
2-N-but-3-yn-2-ylnonane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.29, 9 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-ylnonane-1,2-diamine is sourced from PubChem (CID 114415974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).