2-methyl-2-N-pent-3-ynylheptane-1,2-diamine

C13H26N2 — CID 116643472

IUPAC2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
SMILESCC#CCCNC(C)(CN)CCCCC
InChIInChI=1S/C13H26N2/c1-4-6-8-10-13(3,12-14)15-11-9-7-5-2/h15H,4,6,8-12,14H2,1-3H3
InChIKeyMGIXLRZKEFGCCH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.29
Rot. Bonds8

About 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine

2-methyl-2-N-pent-3-ynylheptane-1,2-diamine (PubChem CID 116643472) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
PubChem CID116643472
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
SMILESCC#CCCNC(C)(CN)CCCCC
InChIInChI=1S/C13H26N2/c1-4-6-8-10-13(3,12-14)15-11-9-7-5-2/h15H,4,6,8-12,14H2,1-3H3
InChIKeyMGIXLRZKEFGCCH-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 62539904
4,4-dimethoxy-2-methyl-2-N-pent-3-ynylbutane-1,2-diamine
CID 116643309
2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine
CID 134309918
2-(2,2-dimethylhydrazinyl)-2-methylnonan-1-amine
CID 83011091
2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369
N-heptyl-5-methylnonan-5-amine
CID 126560493
2,2-dimethyloctan-1-amine
CID 62739423
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
N-ethyl-7-methyltetradecan-7-amine
CID 593697
3,3-dimethylpentadecan-1-amine
CID 81014127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine (CID 116643472) is 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine is CC#CCCNC(C)(CN)CCCCC.
What is the InChIKey of 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine?
The InChIKey is MGIXLRZKEFGCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-6-8-10-13(3,12-14)15-11-9-7-5-2/h15H,4,6,8-12,14H2,1-3H3.
What are the key properties of 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine?
2-methyl-2-N-pent-3-ynylheptane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-pent-3-ynylheptane-1,2-diamine is sourced from PubChem (CID 116643472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).