2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine

C12H22N2 — CID 116643438

IUPAC2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine
SMILESCC#CCCNC(CC)(CN)C1CC1
InChIInChI=1S/C12H22N2/c1-3-5-6-9-14-12(4-2,10-13)11-7-8-11/h11,14H,4,6-10,13H2,1-2H3
InChIKeyHROARNQLDPEVHB-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.51
Rot. Bonds6

About 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine

2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine (PubChem CID 116643438) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine
PubChem CID116643438
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine
SMILESCC#CCCNC(CC)(CN)C1CC1
InChIInChI=1S/C12H22N2/c1-3-5-6-9-14-12(4-2,10-13)11-7-8-11/h11,14H,4,6-10,13H2,1-2H3
InChIKeyHROARNQLDPEVHB-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.51
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

4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol
CID 106841433
2-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 64919093
2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
CID 116643472
2-(hydroxymethyl)-2-(pent-3-ynylamino)propane-1,3-diol
CID 107852643
4,4-dimethoxy-2-methyl-2-N-pent-3-ynylbutane-1,2-diamine
CID 116643309
4-tert-butyl-N-pent-3-ynylcycloheptan-1-amine
CID 116643207
2-N-benzyl-2-cyclobutylbutane-1,2-diamine
CID 130697657
1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
CID 116643527
4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
CID 106841438
2-cyclopropyl-2-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
CID 114544780
1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine
CID 105232751
2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride
CID 119929054

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine (CID 116643438) is 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine is CC#CCCNC(CC)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine?
The InChIKey is HROARNQLDPEVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-6-9-14-12(4-2,10-13)11-7-8-11/h11,14H,4,6-10,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine?
2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-pent-3-ynylbutane-1,2-diamine is sourced from PubChem (CID 116643438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).